SCHEMBL12993147

SCHEMBL12993147

ON1CCC(N2CCc3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
OPRK1 P41145 1/20 0.57
OPRL1 P41146 1/20 0.57
HTR2C P28335 4/20 0.51
HTR2B P41595 3/20 0.51
SCD O00767 2/20 0.47
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CDK4 P11802 1/20 0.42
ALOX15 P16050 1/20 0.42
CCND1 P24385 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41

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
SCHEMBL3723794 0.87 OPRM1 (0.65) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL2675996 0.84 OPRM1 (0.62) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL4934890 0.82 HTR2C (0.58) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL2675232 0.81 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL5871239 0.80 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL2709111 0.79 HTR2C (0.77) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL14349454 0.79 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1HTR2C
Hydrochloric Acid SCHEMBL3947175 0.78 HTR2C (0.75) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL14282272 0.78 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL29016956 0.77 HTR2C (0.55) OPRM1OPRD1OPRK1OPRL1HTR2C

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-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP disclosed