SCHEMBL7467433

SCHEMBL7467433

CN1C2CCC1CC(C#N)(c1cccs1)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.39
CHRM3 P20309 3/20 0.38
SLC6A3 Q01959 4/20 0.36
SLC6A4 P31645 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
SLC6A2 P23975 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1843464 0.76 OPRL1 (0.60) OPRL1CHRM3SLC6A3SLC6A4CHRM2
SCHEMBL7230071 0.74 OPRL1 (0.45) OPRL1CHRM3SLC6A3SLC6A4CHRM2
SCHEMBL13229259 0.73 OPRM1 (0.51) MEN1KMT2A
SCHEMBL7468364 0.73 OPRL1 (0.41) OPRL1CHRM3SLC6A3SLC6A4CHRM2
SCHEMBL4441268 0.73 SLC6A2 (0.43) OPRL1CHRM3SLC6A3SLC6A4CHRM2
SCHEMBL23208259 0.72 OPRL1 (0.37) OPRL1CHRM3SLC6A3SLC6A4CHRM2
SCHEMBL7228658 0.71 OPRL1 (0.42) OPRL1CHRM3SLC6A3SLC6A4CHRM2
SCHEMBL7230273 0.70 OPRL1 (0.44) OPRL1CHRM3CHRM2CHRM1CHRM4
SCHEMBL2987797 0.70 SLC6A2 (0.37) OPRL1CHRM3SLC6A3SLC6A4CHRM2
SCHEMBL4092897 0.70 SLC6A4 (0.34) SLC6A3SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942909-B1 BICYCLIC AMINE DERIVATIVES SYNGENTA LTD (GB) 2002-06-12 EP disclosed