SCHEMBL9546432

SCHEMBL9546432

CCc1cccc(CC)c1NC(=O)C(C)N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.52
CACNA1C Q13936 2/20 0.50
SCN5A Q14524 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
XIAP P98170 1/20 0.49
BIRC2 Q13490 1/20 0.49
HTT P42858 3/20 0.48
CYP2C19 P33261 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
NLRP3 Q96P20 1/20 0.46
IDO1 P14902 2/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43

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
Hydrochloric Acid SCHEMBL8974932 0.98 ANPEP (0.51) ANPEPCACNA1CSCN5AALDH1A1KDM4E
SCHEMBL11423763 0.90 NLRP3 (0.52) ANPEPALDH1A1KDM4EHTTALOX15
SCHEMBL14521753 0.87 ANPEP (0.56) ANPEPCACNA1CSCN5AALDH1A1KDM4E
SCHEMBL11415356 0.82 ANPEP (0.52) ANPEPCACNA1CSCN5AALDH1A1KDM4E
SCHEMBL6902097 0.82 ANPEP (0.52) ANPEPCACNA1CSCN5AALDH1A1KDM4E
S-Tocainide SCHEMBL308742 0.78 ATM (0.57) ANPEPSCN5AALDH1A1XIAPBIRC2
Tocainide SCHEMBL15761 0.78 ATM (0.57) ANPEPSCN5AALDH1A1XIAPBIRC2
SCHEMBL1439771 0.77 CACNA1C (0.60) ANPEPCACNA1CSCN5AALDH1A1KDM4E
SCHEMBL21852719 0.77 ANPEP (0.58) ANPEPCACNA1CSCN5AALDH1A1KDM4E
Benzene SCHEMBL9851001 0.77 ANPEP (0.51) ANPEPCACNA1CSCN5AALDH1A1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4237068-A Primary aminoacylanilides ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-12-02 US claimed
US-4218477-A LONG LASTING ORAL AGENTS ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-08-19 US claimed
WO-1993025518-A1 NOVEL PROCESS FOR THE PREPARATION OF α-AMINOACYLANILIDES MERCK & CO., INC. (US) 1993-12-23 WO disclosed
US-4237068-A Primary aminoacylanilides ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-12-02 US disclosed
US-4218477-A LONG LASTING ORAL AGENTS ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-08-19 US disclosed