SCHEMBL4081847

SCHEMBL4081847

Cc1cc(C(N)=O)ccc1-c1c(C)cc(CNC2Cc3ccccc3C2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.54
OPRK1 P41145 9/20 0.54
OPRD1 P41143 8/20 0.54
HDAC1 Q13547 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PRMT5 O14744 3/20 0.37
FYN P06241 1/20 0.37
SMO Q99835 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM1A O60341 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRM7 Q14831 1/20 0.35

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 0.87 OPRM1 (0.64) OPRM1OPRK1OPRD1HDAC1TMEM97
SCHEMBL4084233 0.83 OPRM1 (0.57) OPRM1OPRK1OPRD1HDAC1FYN
SCHEMBL4392907 0.83 OPRM1 (0.54) OPRM1OPRK1OPRD1HDAC1TMEM97
SCHEMBL12607941 0.81 OPRM1 (0.55) OPRM1OPRK1OPRD1HDAC1TMEM97
SCHEMBL4080179 0.81 OPRM1 (0.54) OPRM1OPRK1OPRD1HDAC1FYN
SCHEMBL4487323 0.80 OPRM1 (0.59) OPRM1OPRK1OPRD1HDAC1TMEM97
Hydrochloric Acid SCHEMBL3337917 0.80 OPRM1 (0.55) OPRM1OPRK1OPRD1HDAC1TMEM97
SCHEMBL4485653 0.80 OPRM1 (0.57) OPRM1OPRK1OPRD1HDAC1TMEM97
SCHEMBL12651157 0.79 OPRM1 (0.58) OPRM1OPRK1OPRD1HDAC1TMEM97
SCHEMBL4074727 0.79 OPRM1 (0.55) OPRM1OPRK1OPRD1HDAC1TMEM97

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