SCHEMBL11367802

SCHEMBL11367802

CCN=C(NC#N)NCCNCc1nccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ CTSK P43235 1/20 0.31
▸ QPCT Q16769 2/20 0.31
▸ CYP3A4 P08684 3/20 0.31
▸ CYP2D6 P10635 3/20 0.31
▸ HRH2 P25021 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SLC22A2 O15244 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ATP4A P20648 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ADRA1A P35348 1/20 0.31

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
SCHEMBL11353214 0.88 HRH4 (0.44) HRH4HRH3CTSKQPCTCYP3A4
SCHEMBL11371268 0.85 BCHE (0.37) HRH4HRH2
SCHEMBL11367789 0.85 HRH4 (0.42) HRH4CTSKHRH2
SCHEMBL11367796 0.85 HRH4 (0.42) HRH4CTSKHRH2
SCHEMBL11353212 0.82 ADRB2 (0.33) —
SCHEMBL11353211 0.82 ADRB2 (0.33) —
SCHEMBL11370068 0.81 HRH2 (0.45) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11371264 0.81 BCHE (0.37) HRH4HRH2MEN1KMT2A
SCHEMBL11371266 0.81 BCHE (0.37) HRH4HRH2MEN1KMT2A
SCHEMBL11360810 0.81 HRH4 (0.47) HRH4HRH3CTSKQPCTCYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293699-A CONTAINING A BENZIMIDAZOLE OR 3-/5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 — — US disclosed
US-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 — — US disclosed
US-4228291-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-14 — — US disclosed
US-4221802-A Pharmacologically active guanidine compounds for inhibiting H-2 histamine receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-09 — — US disclosed
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 — — US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 — — US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 — — US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 — — US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
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