SCHEMBL10063154

SCHEMBL10063154

CC1C(=O)N(C2CCNCC2)c2ccc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
IDO1 P14902 1/20 0.39
HTR2C P28335 4/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 2/20 0.36
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CCR3 P51677 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
HTR7 P34969 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL15202948 0.92 HTR2C (0.42) OPRM1OPRK1OPRL1IDO1HTR2C
SCHEMBL10063160 0.89 OPRM1 (0.42) OPRM1OPRK1OPRL1HTR2CHTR2A
SCHEMBL20230166 0.73 IDO1 (0.37) IDO1HTR2CHTR2BCCR3PARP2
SCHEMBL15202991 0.72 OPRM1 (0.56) OPRM1OPRK1OPRL1HTR2CHTR2A
SCHEMBL181875 0.72 OPRM1 (0.36) OPRM1OPRK1OPRL1HTR2CHTR2B
SCHEMBL26869656 0.72 GRIA1 (0.36) OPRM1OPRK1OPRL1HTR2CHTR2B
SCHEMBL9775096 0.71 PARK7 (0.41) IDO1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5546064 0.71 CCR3 (0.38) OPRM1OPRL1HTR2CHTR2AHTR2B
SCHEMBL23034828 0.69 OPRM1 (0.40) OPRM1OPRK1OPRL1HTR2CHTR2A
SCHEMBL10062766 0.69 OPRM1 (0.43) OPRM1OPRK1OPRL1HTR2CHTR2B

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
WO-2012020813-A1 FUSED-RING PYRROLIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-02-16 WO disclosed