SCHEMBL23619010

SCHEMBL23619010

CCSc1ccc(C(CC#N)NC(=O)c2ccc3c(c2)N(Cc2ccc(C(F)(F)F)cc2)CCO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.39
▸ RORC P51449 5/20 0.39
▸ PTGER4 P35408 4/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ UTS2R Q9UKP6 1/20 0.36
▸ PPARG P37231 2/20 0.35
▸ PTGER3 P43115 2/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ EPAS1 Q99814 1/20 0.35
▸ AKT1 P31749 1/20 0.34

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
SCHEMBL23619095 0.92 RORC (0.43) PDE2ARORCPTGER4HDAC1HDAC6
SCHEMBL23619013 0.89 PDE2A (0.40) PDE2ARORCHDAC1UTS2RPTGER3
SCHEMBL28621544 0.88 RORC (0.42) PDE2ARORC
SCHEMBL23619009 0.88 RORC (0.42) PDE2ARORC
SCHEMBL23619091 0.86 RORC (0.43) PDE2ARORCPTGER4HDAC1HDAC6
SCHEMBL28615097 0.82 RORC (0.42) PDE2ARORCPTGER4
SCHEMBL23619089 0.82 RORC (0.42) PDE2ARORCPTGER4
SCHEMBL23619017 0.80 RORC (0.48) RORC
SCHEMBL28921695 0.80 RORC (0.48) RORC
SCHEMBL23619031 0.79 PDE2A (0.38) PDE2ARORCHDAC1UTS2R

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
WO-2021136339-A1 AMIDE COMPOUND WITH BICYCLIC STRUCTURE AND USE THEREOF IN DRUG 广东东阳光药业有限公司 2021-07-08 — — WO disclosed
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