SCHEMBL8775033

SCHEMBL8775033

CC(C)(C)OC(=O)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.77

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
SCHEMBL9054170 0.93 CCKBR (0.81) CCKBR
SCHEMBL7543470 0.93 CCKBR (0.83) CCKBR
SCHEMBL7543467 0.93 CCKBR (0.83) CCKBR
SCHEMBL9054748 0.90 CCKBR (0.84) CCKBR
SCHEMBL8774072 0.90 CCKBR (0.84) CCKBR
SCHEMBL9057154 0.90 CCKBR (0.84) CCKBR
SCHEMBL9058124 0.88 CCKBR (0.73) CCKBR
SCHEMBL9058119 0.88 CCKBR (0.73) CCKBR
SCHEMBL9054598 0.87 CCKBR (0.84) CCKBR
SCHEMBL9054594 0.87 CCKBR (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed