SCHEMBL27879637

SCHEMBL27879637

O=CNC1CC(O)CN1C(=O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ OPRK1 P41145 1/20 0.40
▸ MC4R P32245 2/20 0.39
▸ MC3R P41968 2/20 0.39
▸ MC1R Q01726 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ TACR3 P29371 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ ACE P12821 1/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL28799525 0.86 OPRK1 (0.35) CTSSCTSKOPRK1POLB
SCHEMBL27896420 0.86 NAPRT (0.42) OPRK1ALDH1A1PIK3CDKDM4E
SCHEMBL13272427 0.81 OPRK1 (0.43) CTSSCTSKOPRK1MC4RMC3R
SCHEMBL27896388 0.80 KMT2A (0.45) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL28054810 0.80 PIK3CD (0.55) CTSKL3MBTL1RIPK1PIK3CD
SCHEMBL27896408 0.77 MC4R (0.48) MC4RMC3RMC1RALDH1A1TACR3
SCHEMBL12798577 0.76 ACE (0.55) CTSSCTSKOPRK1MC4RMC3R
SCHEMBL27896445 0.75 ATM (0.30) —
SCHEMBL27879627 0.72 VHL (0.65) POLBKMT2A
SCHEMBL28799491 0.70 HSD17B10 (0.45) ALDH1A1POLBKMT2A

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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