SCHEMBL3134610

SCHEMBL3134610

CCOc1cc(CN2CCC(n3c(=O)[nH]c4cc(OC(=O)O)ccc43)CC2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CHRM1 P11229 1/20 0.47
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL3124946 0.93 OPRM1 (0.52) OPRM1ALDH1A1CHRM1OPRK1OPRL1
SCHEMBL3137568 0.91 OPRM1 (0.49) OPRM1CHRM1OPRK1OPRL1HTR1A
SCHEMBL3138400 0.91 OPRM1 (0.54) OPRM1KDM4EALDH1A1CHRM1OPRK1
SCHEMBL3138205 0.91 OPRM1 (0.54) OPRM1CHRM1OPRK1OPRL1HTR1A
SCHEMBL3137562 0.90 OPRM1 (0.48) OPRM1ALDH1A1CHRM1OPRK1OPRL1
SCHEMBL3135581 0.89 OPRM1 (0.49) OPRM1ALDH1A1CHRM1OPRK1OPRL1
SCHEMBL3134979 0.89 OPRM1 (0.49) OPRM1ALDH1A1CHRM1OPRK1OPRL1
SCHEMBL3137914 0.89 OPRM1 (0.53) OPRM1CHRM1OPRK1OPRL1HTR1A
SCHEMBL3135124 0.89 OPRM1 (0.49) OPRM1ALDH1A1CHRM1OPRK1OPRL1
SCHEMBL3132392 0.89 OPRM1 (0.46) OPRM1KDM4EALDH1A1CHRM1OPRK1

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-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP claimed