SCHEMBL4793189

SCHEMBL4793189

O=C(c1ccc(Cn2cnc3cc(Cl)ccc32)cc1)C1CCCN1C1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.40
▸ PRPS1 P60891 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ CDK9 P50750 5/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FLT3 P36888 1/20 0.36

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
SCHEMBL4792689 0.93 CDK9 (0.44) HRH3PRPS1CDK9IDO1KCNH2
SCHEMBL4790266 0.91 CDK9 (0.42) HRH3PRPS1CDK9IDO1FLT3
SCHEMBL4790952 0.83 HRH3 (0.42) HRH3PPARGKCNH2
SCHEMBL4791769 0.80 HRH3 (0.38) HRH3CDK9IDO1KCNH2
SCHEMBL4761940 0.80 HRH3 (0.42) HRH3CDK9KCNH2
SCHEMBL2884746 0.76 HRH3 (0.51) HRH3
SCHEMBL4790887 0.76 L3MBTL1 (0.36) KCNH2SMN1; SMN2
SCHEMBL3839546 0.74 KDM4E (0.41) MAPK1HTT
SCHEMBL3797395 0.73 HRH3 (0.46) HRH3HTTSMN1; SMN2
SCHEMBL4792357 0.73 PRPS1 (0.40) PRPS1CDK9KCNH2

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 disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 — — WO disclosed
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