SCHEMBL10859515

SCHEMBL10859515

Cc1[nH]cnc1CSCCN=C(N)NCCCNC(N)=NCCSCc1nc[nH]c1C

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 2/20 0.67
▸ HRH4 Q9H3N8 1/20 0.67
▸ HRH3 Q9Y5N1 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ SLC47A1 Q96FL8 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ SLC22A2 O15244 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ATP4A P20648 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ PDE4A P27815 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ ATP4B P51164 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL10856958 0.99 HRH2 (0.66) HRH2HRH4HRH3L3MBTL1SLC47A1
SCHEMBL10860304 0.96 HRH2 (0.66) HRH2HRH4HRH3L3MBTL1SLC47A1
SCHEMBL10854166 0.96 HRH2 (0.66) HRH2HRH4HRH3L3MBTL1SLC47A1
SCHEMBL10859074 0.96 HRH2 (0.66) HRH2HRH4HRH3L3MBTL1SLC47A1
SCHEMBL10861202 0.95 HRH2 (0.67) HRH2HRH4HRH3L3MBTL1SLC47A1
SCHEMBL11154450 0.92 HRH2 (0.62) HRH2HRH4HRH3L3MBTL1SLC47A1
SCHEMBL9864960 0.92 HRH2 (0.66) HRH2HRH4HRH3L3MBTL1SLC47A1
Hydrochloric Acid SCHEMBL11167701 0.91 HRH2 (0.61) HRH2HRH4HRH3L3MBTL1SLC47A1
Hydrochloric Acid SCHEMBL9866856 0.91 HRH2 (0.65) HRH2HRH4HRH3L3MBTL1SLC47A1
Hydrochloric Acid SCHEMBL11166504 0.90 HRH2 (0.61) HRH2HRH4HRH3L3MBTL1SLC47A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29761-E INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-09-12 — — US claimed
US-4578388-A HISTAMINE H2-ANTAGONIST; ANTISECRETORY AGENTS SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1986-03-25 — — US disclosed
US-4578388-A HISTAMINE H2-ANTAGONIST; ANTISECRETORY AGENTS SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1986-03-25 — — US disclosed
US-4405621-A Heterocyclic thioureas, isothioureas, guanidines and nitromethylene-amidines SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-09-20 — — US disclosed
US-4405621-A Heterocyclic thioureas, isothioureas, guanidines and nitromethylene-amidines SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-09-20 — — US disclosed
US-4301165-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-17 — — US disclosed
US-4301165-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-17 — — US disclosed
US-4197305-A Thiazole, isothiazole, oxazole and isoxazole compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-04-08 — — US disclosed
US-4197305-A Thiazole, isothiazole, oxazole and isoxazole compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-04-08 — — US disclosed
US-4151289-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 — — US disclosed
US-4151289-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 — — US disclosed
US-4137319-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — US disclosed
US-4137319-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — US disclosed
US-4133886-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-09 — — US disclosed
US-4133886-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-09 — — US disclosed
US-RE29761-E INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-09-12 — — US disclosed
US-RE29761-E INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-09-12 — — US disclosed
US-4070472-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 — — US disclosed
US-4062967-A ANTIHISTAMINE SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-12-13 — — US disclosed
US-3968227-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-07-06 — — US disclosed
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