SCHEMBL28799525

SCHEMBL28799525

NCc1cccc(CC(=O)N2CC(O)CC2NC=O)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 4/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ VHL P40337 2/20 0.35
▸ GLS O94925 3/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ KLK1 P06870 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ CFD P00746 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
SCHEMBL27879637 0.86 CTSS (0.42) OPRK1CTSSCTSKPOLB
SCHEMBL27896436 0.83 LOXL2 (0.34) OPRK1HRH3GLSLOXL2CYP2D6
SCHEMBL27896420 0.80 NAPRT (0.42) OPRK1HRH3OPRM1
SCHEMBL27896388 0.72 KMT2A (0.45) —
SCHEMBL27879627 0.70 VHL (0.65) VHLPOLB
SCHEMBL27896445 0.69 ATM (0.30) SCN9A
SCHEMBL28054810 0.69 PIK3CD (0.55) VHLCTSK
SCHEMBL13272427 0.67 OPRK1 (0.43) OPRK1CTSSCTSKPOLB
SCHEMBL28799491 0.65 HSD17B10 (0.45) POLB
SCHEMBL27896408 0.64 MC4R (0.48) POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102791693-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-04-13 — — CN claimed
CN-102791693-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-11-21 — — CN claimed
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