SCHEMBL9475776

SCHEMBL9475776

CC1=C(C(=O)O)C(c2ccccc2C(F)(F)F)N(C(=O)CCN(C)Cc2ccccc2)C(=S)N1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 5/20 0.54
CACNA1D Q01668 5/20 0.54
CACNA1S Q13698 5/20 0.54
CACNA1C Q13936 5/20 0.54
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
OPRL1 P41146 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR7 P34969 1/20 0.34

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
SCHEMBL9477546 0.91 CACNA1C (0.44) CACNA1FCACNA1DCACNA1SCACNA1CTP53
SCHEMBL9474870 0.80 CACNA1C (0.65) CACNA1FCACNA1DCACNA1SCACNA1CTP53
SCHEMBL7384493 0.80 CACNA1C (0.65) CACNA1FCACNA1DCACNA1SCACNA1CTP53
SCHEMBL7265838 0.75 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CTP53
SCHEMBL9477087 0.75 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL10359264 0.74 CACNA1C (0.50) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL9476150 0.72 CACNA1C (0.53) CACNA1FCACNA1DCACNA1SCACNA1CTP53
SCHEMBL7265684 0.70 CACNA1C (0.51) CACNA1FCACNA1DCACNA1SCACNA1CTP53
SCHEMBL7266696 0.69 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1CTP53
SCHEMBL10359332 0.69 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CL3MBTL1

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
US-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed