SCHEMBL8205282

SCHEMBL8205282

COc1ccc(CCN(C)C2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.45
CHRM1 P11229 5/20 0.45
CHRM5 P08912 4/20 0.45
ALOX5 P09917 3/20 0.43
CHRM2 P08172 3/20 0.41
CHRM4 P08173 1/20 0.41
OPRM1 P35372 4/20 0.40
AOC3 Q16853 1/20 0.40
C5AR1 P21730 1/20 0.39
CACNA1C Q13936 1/20 0.39
KCNH2 Q12809 1/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38

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
SCHEMBL8208772 0.95 CHRM3 (0.45) CHRM3CHRM1CHRM5ALOX5CHRM2
SCHEMBL8199247 0.92 AGTR2 (0.42) CHRM3CHRM1CHRM5CHRM2CHRM4
SCHEMBL8209731 0.90 HRH1 (0.39) CHRM3CHRM1CHRM5CHRM2CHRM4
SCHEMBL8199191 0.90 CHRM2 (0.38) CHRM3CHRM1CHRM5CHRM2CHRM4
SCHEMBL8205356 0.89 CHIT1 (0.41) CHRM3CHRM1CHRM5CHRM2CHRM4
SCHEMBL8199092 0.89 KMT2A (0.40) CHRM3CHRM1CHRM5CHRM2CHRM4
SCHEMBL8206274 0.86 SLC18A3 (0.43) CACNA1C
SCHEMBL8209743 0.86 SLC18A3 (0.43) CACNA1C
SCHEMBL8199050 0.86 L3MBTL1 (0.44)
SCHEMBL8206075 0.85 CRHBP (0.39) CHRM3CHRM2KCNH2

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-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP claimed
EP-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed