SCHEMBL30968426

SCHEMBL30968426

CC(C)(C)OC(=O)N1CCNCC1c1ccc2c(c1F)OCC([N+](=O)[O-])=C2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PARP1 P09874 1/20 0.32
MC4R P32245 1/20 0.31
MC5R P33032 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
NR1H2 P55055 2/20 0.30
NR1H3 Q13133 2/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL31437077 0.76 ALDH1A1 (0.43) TACR1LMNAALDH1A1MAPT
SCHEMBL28052467 0.76 TACR1 (0.40) TACR1LMNAPARP1HTR2AHTR2C
SCHEMBL20722545 0.75 MAPT (0.50) LMNAALDH1A1MAPT
SCHEMBL30059937 0.75 MAPT (0.50) LMNAALDH1A1MAPT
SCHEMBL30968427 0.75 TACR1 (0.34) TACR1LMNAPARP1HTR2AHTR2C
SCHEMBL5188507 0.73 MAPT (0.38) TACR1LMNAALDH1A1MAPTPARP1
SCHEMBL31257816 0.72 ALDH1A1 (0.42) LMNAALDH1A1MAPTHTR2AHTR2C
SCHEMBL6630997 0.72 HTR2C (0.39) TACR1HTR2AHTR2CHTR2B
SCHEMBL30165832 0.72 ALDH1A1 (0.50) LMNAALDH1A1MAPTPARP1NR1H2
SCHEMBL30968467 0.71 TACR1 (0.36) TACR1PARP1MC4RMC5RHTR2A

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
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