SCHEMBL4762113

SCHEMBL4762113

Cc1ccc2ncn(Cc3ccc(C(=O)[N+]4(C5CCNC5)CCCC4)cc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 7/20 0.43
▸ BRD4 O60885 3/20 0.42
▸ HRH3 Q9Y5N1 6/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ IDO1 P14902 1/20 0.37

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
SCHEMBL4793844 0.94 HRH3 (0.39) CDK9BRD4HRH3SMN1; SMN2LMNA
SCHEMBL4155158 0.85 HPGD (0.43) SMN1; SMN2ALDH1A1
SCHEMBL4791558 0.82 HRH3 (0.37) CDK9HRH3SMN1; SMN2LMNACYP11B1
SCHEMBL4792853 0.81 CDK9 (0.38) CDK9BRD4HRH3SMN1; SMN2LMNA
SCHEMBL4762035 0.78 HDAC1 (0.39) CDK9HRH3SMN1; SMN2LMNACYP11B1
SCHEMBL4791994 0.77 PTAFR (0.41) CDK9BRD4HRH3
SCHEMBL4790226 0.75 PPARG (0.43) HRH3
SCHEMBL2878939 0.73 HDAC6 (0.46) —
SCHEMBL4792261 0.72 HRH3 (0.52) HRH3SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL4170563 0.71 HPGD (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 — — EP claimed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 — — WO claimed
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