SCHEMBL7958205

SCHEMBL7958205

Brc1ccc(COc2ccc(N3CCN(c4ccncc4)CC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.53
APP P05067 1/20 0.50
HRH3 Q9Y5N1 6/20 0.49
HRH1 P35367 4/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
HRH2 P25021 3/20 0.45
MAPT P10636 2/20 0.45
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
MAOB P27338 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL7947463 0.83 HRH3 (0.61) HRH3HRH1ITGB3ITGA2BHRH2
SCHEMBL13764324 0.81 APP (0.61) APPRXRARXRBCA12CA9
SCHEMBL27037838 0.81 APP (0.61) APPRXRARXRBMAPTCA12
SCHEMBL7958198 0.80 CCR5 (0.52) F10HRH3HRH1
SCHEMBL4676358 0.79 ITGB3 (0.43) F10HRH3HRH1ITGB3ITGA2B
SCHEMBL4676367 0.78 ADRB2 (0.60)
SCHEMBL7958587 0.76 POLB (0.56) MAPT
SCHEMBL2399080 0.76 APP (0.80) APPRXRARXRBCA12CA9
SCHEMBL7958206 0.73 CCR5 (0.50) F10HRH3HRH1
SCHEMBL7332462 0.72 GRM5 (0.47) F10HRH3HRH1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed