SCHEMBL10409010

SCHEMBL10409010

CC(C)(C)OC(=O)[C@H](C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)C(N)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.65
CCKAR P32238 11/20 0.65
NOTCH1 P46531 3/20 0.55
RBPJ Q06330 1/20 0.55
NOTCH3 Q9UM47 2/20 0.51

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
SCHEMBL642206 0.83 CCKBR (0.76) CCKBRCCKARNOTCH1RBPJ
SCHEMBL5656206 0.82 CCKBR (0.74) CCKBRCCKAR
SCHEMBL644153 0.82 CCKBR (0.74) CCKBRCCKAR
SCHEMBL8774740 0.82 CCKBR (0.74) CCKBRCCKAR
SCHEMBL643257 0.82 CCKBR (0.64) CCKBRCCKARNOTCH1RBPJ
SCHEMBL12693563 0.81 NOTCH1 (0.75) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL12693561 0.81 NOTCH1 (0.75) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL12700015 0.79 NOTCH1 (0.71) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL12693586 0.79 NOTCH1 (0.71) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL9526556 0.79 CCKAR (1.00) CCKBRCCKARNOTCH1RBPJ

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-4970207-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-11-13 US disclosed