SCHEMBL4485653

SCHEMBL4485653

Cc1cc(C(N)=O)ccc1-c1ccc(CNC2Cc3ccccc3C2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.57
OPRD1 P41143 9/20 0.57
OPRK1 P41145 9/20 0.57
HDAC1 Q13547 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 1/20 0.38
FYN P06241 1/20 0.38
SMO Q99835 2/20 0.37
SLC2A1 P11166 2/20 0.37
WDR5 P61964 1/20 0.37
PRMT5 O14744 1/20 0.36

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 0.92 OPRM1 (0.64) OPRM1OPRD1OPRK1HDAC1TMEM97
SCHEMBL4490634 0.87 OPRK1 (0.52) OPRM1OPRD1OPRK1HDAC1TMEM97
SCHEMBL4084233 0.86 OPRM1 (0.57) OPRM1OPRD1OPRK1HDAC1KDM1A
SCHEMBL4487323 0.85 OPRM1 (0.59) OPRM1OPRD1OPRK1HDAC1TMEM97
SCHEMBL12607941 0.84 OPRM1 (0.55) OPRM1OPRD1OPRK1HDAC1TMEM97
Hydrochloric Acid SCHEMBL3337917 0.83 OPRM1 (0.55) OPRM1OPRD1OPRK1HDAC1TMEM97
SCHEMBL4075949 0.83 OPRM1 (0.57) OPRM1OPRD1OPRK1HDAC1TMEM97
SCHEMBL12608179 0.82 OPRM1 (0.50) OPRM1OPRD1OPRK1HDAC1TMEM97
SCHEMBL12651157 0.82 OPRM1 (0.58) OPRM1OPRD1OPRK1HDAC1TMEM97
SCHEMBL4071959 0.82 OPRM1 (0.53) OPRM1OPRD1OPRK1HDAC1KDM1A

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