SCHEMBL8741738

SCHEMBL8741738

N[C@H](CS)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.63
CCKAR P32238 11/20 0.63
NOTCH1 P46531 1/20 0.57
RBPJ Q06330 1/20 0.57

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
SCHEMBL9866450 0.88 CCKBR (0.66) CCKBRCCKARNOTCH1RBPJ
SCHEMBL9866463 0.88 CCKBR (0.66) CCKBRCCKARNOTCH1RBPJ
SCHEMBL9866460 0.88 CCKBR (0.66) CCKBRCCKARNOTCH1RBPJ
SCHEMBL643257 0.86 CCKBR (0.64) CCKBRCCKARNOTCH1RBPJ
SCHEMBL643277 0.84 CCKBR (0.68) CCKBRCCKAR
SCHEMBL24490741 0.83 CCKBR (0.72) CCKBRCCKAR
SCHEMBL20867074 0.83 CCKBR (0.72) CCKBRCCKAR
SCHEMBL18394863 0.82 CCKBR (0.76) CCKBRCCKAR
SCHEMBL2930364 0.82 CCKBR (0.76) CCKBRCCKAR
SCHEMBL18394473 0.82 CCKBR (0.76) CCKBRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760813-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1997-09-03 EP disclosed
EP-0760813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-03-12 EP disclosed
WO-1995032191-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-11-30 WO disclosed