SCHEMBL4490634

SCHEMBL4490634

Cc1cc(C(N)=O)ccc1-c1cc(F)c(CNC2Cc3ccccc3C2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.52
OPRM1 P35372 10/20 0.52
OPRD1 P41143 8/20 0.52
FFAR1 O14842 2/20 0.37
KCNH2 Q12809 2/20 0.35
HDAC1 Q13547 1/20 0.35
MAP4K1 Q92918 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PRMT5 O14744 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SMO Q99835 1/20 0.33

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 0.87 OPRM1 (0.56) OPRK1OPRM1OPRD1HDAC1PRMT5
SCHEMBL4485653 0.87 OPRM1 (0.57) OPRK1OPRM1OPRD1HDAC1TMEM97
SCHEMBL12608179 0.86 OPRM1 (0.50) OPRK1OPRM1OPRD1HDAC1MAP4K1
Hydrochloric Acid SCHEMBL16194744 0.85 OPRM1 (0.49) OPRK1OPRM1OPRD1HDAC1MAP4K1
SCHEMBL4480489 0.84 OPRM1 (0.52) OPRK1OPRM1OPRD1HDAC1PRMT5
SCHEMBL4478715 0.83 OPRM1 (0.64) OPRK1OPRM1OPRD1HDAC1TMEM97
SCHEMBL4075949 0.82 OPRM1 (0.57) OPRK1OPRM1OPRD1HDAC1TMEM97
SCHEMBL4084233 0.79 OPRM1 (0.57) OPRK1OPRM1OPRD1HDAC1KDM1A
SCHEMBL4487323 0.78 OPRM1 (0.59) OPRK1OPRM1OPRD1HDAC1TMEM97
SCHEMBL4487306 0.77 OPRM1 (0.50) OPRK1OPRM1OPRD1HDAC1

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