SCHEMBL8775396

SCHEMBL8775396

CC(C)(C)OC(=O)N[C@H]1N=C(c2ccccc2F)c2ccccc2N(CCNC(=O)c2cccnc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.51
CCKAR P32238 16/20 0.51
SCN9A Q15858 1/20 0.47

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
SCHEMBL8775389 1.00 CCKBR (0.51) CCKBRCCKARSCN9A
SCHEMBL8533156 0.83 CCKAR (0.60) CCKBRCCKARSCN9A
SCHEMBL8533168 0.83 CCKAR (0.60) CCKBRCCKARSCN9A
SCHEMBL8533160 0.83 CCKAR (0.60) CCKBRCCKARSCN9A
SCHEMBL8533155 0.83 CCKAR (0.60) CCKBRCCKARSCN9A
SCHEMBL8538387 0.82 CCKBR (0.56) CCKBRCCKAR
SCHEMBL8538392 0.82 CCKBR (0.56) CCKBRCCKAR
SCHEMBL8538156 0.82 CCKBR (0.61) CCKBRCCKAR
SCHEMBL8536733 0.80 CCKBR (0.59) CCKBRCCKARSCN9A
SCHEMBL8536728 0.80 CCKBR (0.59) CCKBRCCKARSCN9A

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