SCHEMBL9603377

SCHEMBL9603377

CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21.O=C(Nc1cccc(C(=O)O)c1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.85

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
SCHEMBL8635663 0.92 CCKBR (1.00) CCKBR
SCHEMBL8866497 0.89 CCKBR (1.00) CCKBR
SCHEMBL7375453 0.87 CCKBR (1.00) CCKBR
SCHEMBL9603378 0.85 CCKBR (0.64) CCKBR
SCHEMBL8636478 0.85 CCKBR (1.00) CCKBR
SCHEMBL8656811 0.85 CCKBR (1.00) CCKBR
SCHEMBL8637453 0.85 CCKBR (1.00) CCKBR
SCHEMBL8635695 0.84 CCKBR (1.00) CCKBR
SCHEMBL8659328 0.84 CCKBR (1.00) CCKBR
SCHEMBL8638672 0.83 CCKBR (0.81) CCKBR

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
WO-1993014074-A1 1,5-BENZODIAZEPINE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 WO claimed