SCHEMBL7440153

SCHEMBL7440153

Cc1ccc(C2C(=O)N3CCC2CC3)o1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.44
CHRM4 P08173 9/20 0.44
CHRM5 P08912 9/20 0.44
CHRM1 P11229 9/20 0.44
CHRM3 P20309 9/20 0.44
ALDH1A1 P00352 9/20 0.39
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7453827 0.72 CHRM5 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8935494 0.67 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8935513 0.66 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12252660 0.64
SCHEMBL16446479 0.62 MAPT (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10881613 0.61 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17147669 0.61 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17147672 0.61 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14191138 0.61 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19275755 0.61 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3

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-5599937-A Heteroaromatic quinuclidinenes, their use and preparation PHARMACIA AB (SE) 1997-02-04 US disclosed
EP-0640082-A1 HETEROAROMATIC QUINUCLIDINENES, THEIR USE AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1995-03-01 EP disclosed
WO-1993023395-A1 HETEROAROMATIC QUINUCLIDINENES, THEIR USE AND PREPARATION KABI PHARMACIA AB (SE) 1993-11-25 WO disclosed