SCHEMBL11081872

SCHEMBL11081872

C=CCNC(=NC#N)NCCSCc1[nH]cnc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ SLC22A2 O15244 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ ATP4A P20648 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ATP4B P51164 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SLC47A2 Q86VL8 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44
▸ SLC47A1 Q96FL8 1/20 0.44

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
SCHEMBL11005661 0.91 CYP3A4 (0.51) HRH2LMNACYP3A4CYP2D6TSHR
Cimetidine SCHEMBL11283011 0.86 HRH2 (0.48) HRH2LMNACYP3A4CYP2D6TSHR
Cimetidine SCHEMBL15316685 0.86 HRH2 (0.48) HRH2LMNACYP3A4CYP2D6TSHR
SCHEMBL11207234 0.82 MEN1 (0.39) HRH2LMNACYP3A4CYP2D6TSHR
SCHEMBL11006349 0.81 HRH2 (0.43) HRH2LMNACYP3A4CYP2D6TSHR
SCHEMBL11076627 0.80 HRH2 (0.53) HRH2LMNACYP3A4CYP2D6TSHR
SCHEMBL11081868 0.80 HRH2 (0.44) HRH2LMNACYP3A4CYP2D6TSHR
SCHEMBL11076576 0.80 HRH2 (0.44) HRH2LMNACYP3A4CYP2D6TSHR
SCHEMBL11076605 0.80 HRH2 (0.44) HRH2LMNACYP3A4CYP2D6TSHR
SCHEMBL11183005 0.78 HRH2 (0.43) HRH2LMNACYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4440775-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-04-03 — — US disclosed
US-4347250-A ANTIHISTAMINES; ANTISECRETORY, CARDIOTONIC, AND ANTI-INFLAMMATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-08-31 — — US disclosed
US-4333946-A ANTIINFLAMMATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-06-08 — — US disclosed
US-4276301-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-06-30 — — US disclosed
US-4247558-A HISTAMINE ANTAGONIST SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-01-27 — — US disclosed
US-4192879-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-03-11 — — US disclosed
US-4166856-A Thiazole and isothiazole derivative as blockers of histamine H2 -receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-09-04 — — US disclosed
US-4098898-A N-SUBSTITUTED-N'-HETEROCYCLIC ALKYLTHIOUREAS, GUANIDINES, AND ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-07-04 — — US disclosed
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