SCHEMBL4080179

SCHEMBL4080179

Cc1cc(C(N)=O)cc(C)c1-c1ccc(CNC2Cc3ccccc3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.54
OPRD1 P41143 7/20 0.54
OPRK1 P41145 7/20 0.54
HDAC1 Q13547 1/20 0.50
SMO Q99835 6/20 0.48
FYN P06241 1/20 0.44
SLC2A1 P11166 1/20 0.43
GRIN2B Q13224 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MTTP P55157 2/20 0.40
HTR5A P47898 1/20 0.39
APOB P04114 1/20 0.39

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
SCHEMBL4084233 0.86 OPRM1 (0.57) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL12651507 0.85 HDAC1 (0.52) OPRM1OPRD1OPRK1HDAC1SMO
Hydrochloric Acid SCHEMBL3345693 0.84 HDAC1 (0.51) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL4083151 0.84 OPRM1 (0.50) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL4478715 0.81 OPRM1 (0.64) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL1785708 0.81 HDAC1 (0.60) OPRM1OPRD1OPRK1HDAC1FYN
SCHEMBL4081847 0.81 OPRM1 (0.54) OPRM1OPRD1OPRK1HDAC1SMO
SCHEMBL12650975 0.81 HDAC1 (0.52) OPRM1OPRD1OPRK1HDAC1FYN
SCHEMBL4074727 0.80 OPRM1 (0.55) OPRM1OPRD1OPRK1HDAC1FYN
SCHEMBL12607941 0.78 OPRM1 (0.55) OPRM1OPRD1OPRK1HDAC1SMO

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