SCHEMBL4487306

SCHEMBL4487306

COc1cc(-c2ccc(C(N)=O)cc2C)ccc1CNC1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.50
OPRD1 P41143 7/20 0.50
OPRK1 P41145 7/20 0.50
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
PDCD1 Q15116 5/20 0.46
CD274 Q9NZQ7 5/20 0.46
HTR1D P28221 2/20 0.45
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
TMPRSS2 O15393 1/20 0.39
SLC6A4 P31645 1/20 0.39
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL4480489 0.87 OPRM1 (0.52) OPRM1OPRD1OPRK1PDE4APDE4B
SCHEMBL4074327 0.86 OPRM1 (0.56) OPRM1OPRD1OPRK1PDE4APDE4B
SCHEMBL4084233 0.83 OPRM1 (0.57) OPRM1OPRD1OPRK1HTR1DHDAC1
SCHEMBL12607941 0.81 OPRM1 (0.55) OPRM1OPRD1OPRK1HDAC1
Hydrochloric Acid SCHEMBL3337917 0.80 OPRM1 (0.55) OPRM1OPRD1OPRK1HDAC1
SCHEMBL12608131 0.79 KCNH2 (0.54) OPRM1OPRD1OPRK1PDE4APDE4B
SCHEMBL4075715 0.79 HDAC1 (0.48) OPRM1OPRD1OPRK1HTR1DHDAC1
Hydrochloric Acid SCHEMBL3343673 0.78 KCNH2 (0.53) OPRM1OPRD1OPRK1PDE4APDE4B
SCHEMBL4478715 0.78 OPRM1 (0.64) OPRM1OPRD1OPRK1HDAC1
SCHEMBL4075949 0.78 OPRM1 (0.57) OPRM1OPRD1OPRK1PDE4APDE4B

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