SCHEMBL4792689

SCHEMBL4792689

O=C(c1ccc(Cn2cnc3ccc(Cl)cc32)cc1)C1CCCN1C1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 6/20 0.44
▸ FLT3 P36888 2/20 0.40
▸ HRH3 Q9Y5N1 7/20 0.40
▸ PRPS1 P60891 1/20 0.40
▸ IDO1 P14902 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KCNH2 Q12809 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
SCHEMBL4793189 0.93 HRH3 (0.40) CDK9FLT3HRH3PRPS1IDO1
SCHEMBL4790266 0.85 CDK9 (0.42) CDK9FLT3HRH3PRPS1IDO1
SCHEMBL4761940 0.83 HRH3 (0.42) CDK9HRH3KCNH2
SCHEMBL4791769 0.80 HRH3 (0.38) CDK9HRH3IDO1KCNH2
SCHEMBL4790952 0.80 HRH3 (0.42) HRH3KCNH2
SCHEMBL2884746 0.76 HRH3 (0.51) HRH3
SCHEMBL3839546 0.74 KDM4E (0.41) ALDH1A1HTT
SCHEMBL3797395 0.73 HRH3 (0.46) HRH3SMN1; SMN2ALDH1A1HTTNPSR1
SCHEMBL4765934 0.73 MGLL (0.40) ALDH1A1
SCHEMBL4764592 0.73 HRH3 (0.54) HRH3KCNH2

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 4 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
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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