SCHEMBL4480489

SCHEMBL4480489

Cc1cc(C(N)=O)ccc1-c1ccc(CNC2Cc3ccccc3C2)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.52
OPRD1 P41143 8/20 0.52
OPRK1 P41145 8/20 0.52
HDAC1 Q13547 1/20 0.43
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
HTR1D P28221 1/20 0.37
PRMT5 O14744 3/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
FYN P06241 1/20 0.37
AR P10275 1/20 0.36
SMO Q99835 1/20 0.35
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
BCL2A1 Q16548 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
SCHEMBL4074327 0.91 OPRM1 (0.56) OPRM1OPRD1OPRK1HDAC1ADRB1
SCHEMBL4487306 0.87 OPRM1 (0.50) OPRM1OPRD1OPRK1HDAC1HTR1D
SCHEMBL4084233 0.85 OPRM1 (0.57) OPRM1OPRD1OPRK1HDAC1HTR1D
SCHEMBL4490634 0.84 OPRK1 (0.52) OPRM1OPRD1OPRK1HDAC1PRMT5
SCHEMBL12607941 0.83 OPRM1 (0.55) OPRM1OPRD1OPRK1HDAC1PRMT5
SCHEMBL4075949 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1HDAC1ADRB1
Hydrochloric Acid SCHEMBL3337917 0.82 OPRM1 (0.55) OPRM1OPRD1OPRK1HDAC1PRMT5
SCHEMBL12608179 0.82 OPRM1 (0.50) OPRM1OPRD1OPRK1HDAC1PRMT5
SCHEMBL4075715 0.82 HDAC1 (0.48) OPRM1OPRD1OPRK1HDAC1HTR1D
Hydrochloric Acid SCHEMBL16194744 0.81 OPRM1 (0.49) OPRM1OPRD1OPRK1HDAC1PRMT5

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
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US claimed