SCHEMBL30968427

SCHEMBL30968427

CC(C)(C)OC(=O)N1CCNCC1c1ccc2c(c1F)OCC(N)C2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.34
PARP1 P09874 1/20 0.34
NR1I2 O75469 1/20 0.34
NR1H2 P55055 3/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
NR1H3 Q13133 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL30968490 0.80 PARP1 (0.36) PARP1NR1H2NR1H3
SCHEMBL28052467 0.78 TACR1 (0.40) TACR1PARP1NR1H2HTR2AHTR2C
SCHEMBL30968426 0.75 TACR1 (0.33) TACR1PARP1NR1H2HTR2AHTR2C
SCHEMBL20722675 0.74 ALDH1A1 (0.40) NR1H2LMNA
SCHEMBL30061826 0.74 ALDH1A1 (0.40) NR1H2LMNA
SCHEMBL20732152 0.74 ALDH1A1 (0.40) NR1H2LMNA
SCHEMBL30968467 0.73 TACR1 (0.36) TACR1PARP1HTR2AHTR2CHTR2B
SCHEMBL30502301 0.73 HTR2C (0.44) TACR1PARP1NR1H2HTR2AHTR2C
SCHEMBL13647340 0.72 TACR1 (0.59) TACR1PARP1HTR2AHTR2CHTR2B
SCHEMBL5333905 0.72 HTR2C (0.47) PARP1NR1H2HTR2AHTR2CHTR2B

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