SCHEMBL8330463

SCHEMBL8330463

CC1=C(C(=O)O)C(c2cccc(N)c2)N(C(=O)O)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 5/20 0.43
CACNA1D Q01668 5/20 0.43
CACNA1S Q13698 5/20 0.43
CACNA1C Q13936 5/20 0.43
PDE1C Q14123 2/20 0.39
KIF11 P52732 2/20 0.37
ALDH1A1 P00352 2/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL8108875 0.86 DDB1 (0.37) CACNA1FCACNA1DCACNA1SCACNA1CDDB1
SCHEMBL6137371 0.84 ALDH1A1 (0.40) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7265084 0.81 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7483319 0.78 CACNA1B (0.50)
SCHEMBL6339945 0.78 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CTP53
SCHEMBL10381256 0.78 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CTP53
SCHEMBL9475155 0.74 ALDH1A1 (0.50) CACNA1FCACNA1DCACNA1SCACNA1CKIF11
SCHEMBL7267141 0.74 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL8328481 0.74 USP2 (0.58) PDE1CKIF11ALDH1A1NPSR1USP2
SCHEMBL9475527 0.73 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1

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
US-5889016-A Dihydropyrimidone derivatives as NPY antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-30 US disclosed