SCHEMBL4172886

SCHEMBL4172886

Cc1nc2cc(Cl)ccc2n1-c1ccc(C(=O)[N+]2(C3CCNC3)CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ TP53 P04637 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HRH3 Q9Y5N1 6/20 0.37
▸ KCNH2 Q12809 2/20 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
SCHEMBL4790226 0.86 PPARG (0.43) KMT2AHRH3KCNH2
SCHEMBL4791994 0.81 PTAFR (0.41) HRH3KCNH2
SCHEMBL4167425 0.77 ESR1 (0.47) HRH3KCNH2
SCHEMBL4175289 0.74 HRH3 (0.46) HSD17B10HTTHRH3KCNH2
SCHEMBL4155158 0.73 HPGD (0.43) HPGDTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL4170563 0.70 HPGD (0.42) HPGDTHRBTP53MAPTALDH1A1
SCHEMBL4793844 0.70 HRH3 (0.39) SMN1; SMN2ALDH1A1HTTHRH3
SCHEMBL3844239 0.70 NPC1 (0.36) —
SCHEMBL4762113 0.70 CDK9 (0.43) SMN1; SMN2ALDH1A1HTTHRH3
SCHEMBL1813182 0.69 HRH3 (0.76) HPGDALDH1A1MGLLHRH3

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-2074088-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-07-01 — — EP disclosed
WO-2008045371-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-04-17 — — WO disclosed
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