SCHEMBL3759235

SCHEMBL3759235

C[C@@H](c1ccccc1)N1CCC(CO)C1I

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
OPRL1 P41146 2/20 0.44
CYP2D6 P10635 1/20 0.42
MC4R P32245 1/20 0.38
HTR1A P08908 2/20 0.38
CCR5 P51681 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
HPGD P15428 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35

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
SCHEMBL3606455 0.84 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL9683882 0.78 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL19895559 0.74 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL19895560 0.74 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL18045301 0.73 KMT2A (0.40) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL18045349 0.73 KMT2A (0.40) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL9682613 0.73 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL23532884 0.72 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL19078534 0.72 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL23532886 0.72 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1CYP2D6

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-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed