SCHEMBL4084233

SCHEMBL4084233

Cc1cc(C(N)=O)ccc1-c1ccc(CNC2Cc3ccccc3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.57
OPRD1 P41143 9/20 0.57
OPRK1 P41145 9/20 0.57
HDAC1 Q13547 1/20 0.51
SMO Q99835 4/20 0.42
FYN P06241 1/20 0.42
SLC2A1 P11166 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
APOB P04114 1/20 0.41
MTTP P55157 1/20 0.41
HTR1D P28221 1/20 0.41
GRIN2B Q13224 1/20 0.40

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
SCHEMBL4478715 0.91 OPRM1 (0.64) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL12607941 0.89 OPRM1 (0.55) OPRM1OPRD1OPRK1HDAC1SMO
Hydrochloric Acid SCHEMBL3337917 0.88 OPRM1 (0.55) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL12651157 0.87 OPRM1 (0.58) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL4074727 0.87 OPRM1 (0.55) OPRM1OPRD1OPRK1HDAC1FYN
SCHEMBL4080179 0.86 OPRM1 (0.54) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL4485653 0.86 OPRM1 (0.57) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL4075498 0.86 OPRM1 (0.43) OPRM1OPRD1OPRK1HDAC1KDM1A
SCHEMBL4480489 0.85 OPRM1 (0.52) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL4075715 0.85 HDAC1 (0.48) OPRM1OPRD1OPRK1HDAC1SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US claimed
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP claimed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO claimed