SCHEMBL8108875

SCHEMBL8108875

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
CACNA1B Q00975 11/20 0.37
TP53 P04637 1/20 0.37
CACNA1F O60840 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36
BRD4 O60885 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
SCHEMBL8330463 0.86 CACNA1F (0.43) DDB1CRBNTP53CACNA1FCACNA1D
SCHEMBL6348280 0.84 CACNA1B (0.47) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7483319 0.82 CACNA1B (0.50) CACNA1B
SCHEMBL8329610 0.80 CACNA1F (0.58) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7660734 0.77 ADRA1D (0.42)
SCHEMBL8328481 0.75 USP2 (0.58)
SCHEMBL7481235 0.73 NR1I2 (0.46) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6137371 0.73 ALDH1A1 (0.40) DDB1CRBNCACNA1BCACNA1FCACNA1D
SCHEMBL7483727 0.72 CACNA1B (0.43) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6339945 0.71 CACNA1F (0.50) CACNA1BTP53CACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986553-A4 DIHYDROPYRIMIDONE DERIVATIVES AS NPY ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2000-12-27 EP disclosed
EP-0986553-A1 DIHYDROPYRIMIDONE DERIVATIVES AS NPY ANTAGONISTS Bristol-Myers Squibb Company (US) 2000-03-22 EP disclosed
US-5889016-A Dihydropyrimidone derivatives as NPY antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-30 US disclosed
WO-1998033791-A1 DIHYDROPYRIMIDONE DERIVATIVES AS NPY ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-06 WO disclosed