SCHEMBL4487323

SCHEMBL4487323

CCc1cc(C(N)=O)ccc1-c1ccc(CNC2Cc3ccccc3C2)cc1C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.59
OPRD1 P41143 9/20 0.59
OPRK1 P41145 9/20 0.59
HDAC1 Q13547 1/20 0.42
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 1/20 0.38
FYN P06241 1/20 0.38
PRMT5 O14744 1/20 0.36
SMO Q99835 1/20 0.35
SLC2A1 P11166 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GRIN2B Q13224 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 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 0.92 OPRM1 (0.64) OPRM1OPRD1OPRK1HDAC1KDM1A
SCHEMBL4485653 0.85 OPRM1 (0.57) OPRM1OPRD1OPRK1HDAC1KDM1A
SCHEMBL12651157 0.84 OPRM1 (0.58) OPRM1OPRD1OPRK1HDAC1KDM1A
SCHEMBL4084233 0.84 OPRM1 (0.57) OPRM1OPRD1OPRK1HDAC1KDM1A
SCHEMBL12607941 0.82 OPRM1 (0.55) OPRM1OPRD1OPRK1HDAC1KDM1A
Hydrochloric Acid SCHEMBL3337917 0.81 OPRM1 (0.55) OPRM1OPRD1OPRK1HDAC1KDM1A
SCHEMBL4081847 0.80 OPRM1 (0.54) OPRM1OPRD1OPRK1HDAC1KDM1A
SCHEMBL4071959 0.80 OPRM1 (0.53) OPRM1OPRD1OPRK1HDAC1KDM1A
SCHEMBL4392907 0.79 OPRM1 (0.54) OPRM1OPRD1OPRK1HDAC1KDM1A
Trifluoroacetic Acid SCHEMBL3339975 0.79 OPRM1 (0.52) 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