SCHEMBL28567950

SCHEMBL28567950

NC(=O)O[C@@H]1CCc2cc(Br)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
HSD17B3 P37058 3/20 0.41
SIRT1 Q96EB6 1/20 0.39
OPRK1 P41145 1/20 0.37
PNMT P11086 5/20 0.37
SGPL1 O95470 3/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ABHD6 Q9BV23 1/20 0.35

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
SCHEMBL28571851 1.00 FAAH (0.41) FAAHHSD17B3SIRT1OPRK1PNMT
SCHEMBL28567951 1.00 FAAH (0.41) FAAHHSD17B3SIRT1OPRK1PNMT
SCHEMBL27689519 0.89 PNMT (0.40) HSD17B3SIRT1PNMTADRA2AADRA2B
SCHEMBL29113484 0.85 BRD4 (0.39) HSD17B3OPRK1SGPL1
SCHEMBL23306122 0.81 SGPL1 (0.41) FAAHHSD17B3PNMTSGPL1ADRA2A
SCHEMBL13456262 0.81 PLAU (0.47) FAAH
SCHEMBL2786999 0.78 SIRT1 (0.52) FAAHHSD17B3SIRT1OPRK1PNMT
SCHEMBL23306121 0.77 ITGB3 (0.39) FAAHHSD17B3OPRK1PNMTSGPL1
SCHEMBL20262069 0.76 HTR2A (0.41) HSD17B3SRD5A1
SCHEMBL29187445 0.76 SRD5A1 (0.41) HSD17B3SRD5A1SRD5A2

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-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed
CN-112867712-A Carboxamides as ubiquitin-specific protease inhibitors 瓦洛早期发现股份有限公司 2021-05-28 CN disclosed