SCHEMBL30968467

SCHEMBL30968467

CC(C)(C)OC(=O)N1CCNCC1c1ccc(C=O)c(O)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.36
PARP1 P09874 1/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 2/20 0.35
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 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
SCHEMBL28052467 0.82 TACR1 (0.40) TACR1PARP1HTR2AHTR2CHTR2B
SCHEMBL31058670 0.81 NR1H2 (0.38) TACR1PARP1MC4RMC5R
SCHEMBL28913738 0.81 NR1H2 (0.42) ALOX5APFEN1
SCHEMBL30775551 0.78 ALOX5AP (0.36) TACR1PARP1HTR2AHTR2CHTR2B
SCHEMBL5333905 0.78 HTR2C (0.47) PARP1HTR2AHTR2CHTR2B
SCHEMBL1769797 0.78 TACR1 (0.43) TACR1HTR2AHTR2CHTR2B
SCHEMBL5119466 0.77 PARP1 (0.38) TACR1PARP1HTR2AHTR2CHTR2B
SCHEMBL30502301 0.77 HTR2C (0.44) TACR1PARP1HTR2AHTR2CHTR2B
SCHEMBL5827279 0.77 HTR2C (0.43) TACR1PARP1HTR2AHTR2CHTR2B
SCHEMBL13647340 0.76 TACR1 (0.59) TACR1PARP1HTR2AHTR2CHTR2B

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