SCHEMBL4083151

SCHEMBL4083151

Cc1cc(C(N)=O)cnc1-c1ccc(CNC2Cc3ccccc3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.50
OPRD1 P41143 5/20 0.50
OPRK1 P41145 5/20 0.50
HDAC1 Q13547 2/20 0.46
SMO Q99835 5/20 0.41
SLC2A1 P11166 1/20 0.41
FYN P06241 1/20 0.40
MTTP P55157 1/20 0.39
VNN1 O95497 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
AKT1 P31749 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL4072878 0.88 OPRM1 (0.48) OPRM1OPRD1OPRK1HDAC1FYN
SCHEMBL4080179 0.84 OPRM1 (0.54) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL4084233 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL12651507 0.78 HDAC1 (0.52) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL4071959 0.78 OPRM1 (0.53) OPRM1OPRD1OPRK1HDAC1SMO
Hydrochloric Acid SCHEMBL3345693 0.78 HDAC1 (0.51) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL4478715 0.77 OPRM1 (0.64) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL1785708 0.77 HDAC1 (0.60) OPRM1OPRD1OPRK1HDAC1SLC2A1
SCHEMBL4075715 0.76 HDAC1 (0.48) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL38652244 0.75 AKT1 (0.51) AKT1

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