SCHEMBL4795484

SCHEMBL4795484

CC(=O)OC1=C2CCCCC2N(c2ccc(C#N)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
USP14 P54578 5/20 0.35
CYP19A1 P11511 1/20 0.34
CNR2 P34972 1/20 0.34
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
NR3C2 P08235 2/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CPT1A P50416 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL4581959 0.77 ELANE (0.37) USP14CYP19A1CTSSCTSK
SCHEMBL4579431 0.76 NR3C2 (0.36) USP14CYP19A1NR3C2CTSSCTSK
SCHEMBL4580904 0.76 CYP19A1 (0.36) USP14CYP19A1PRMT5WDR77NR3C2
SCHEMBL19745831 0.62 CNR2 (0.46) USP14CNR2NR3C2NPC1RAB9A
SCHEMBL19745832 0.62 CNR2 (0.46) USP14CNR2NR3C2NPC1RAB9A
SCHEMBL4580525 0.62 CCR1 (0.38) NPC1RAB9A
SCHEMBL16480373 0.62 POLB (0.46) CNR2
SCHEMBL4581779 0.61 AR (0.38) AR
SCHEMBL16790795 0.61 MAOA (0.44) CYP19A1NPC1RAB9A
SCHEMBL4579589 0.61 PARP10 (0.35) CPT1A

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-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed