SCHEMBL8533155

SCHEMBL8533155

CC(C)(C)OC(=O)NC1N=C(c2ccccc2F)c2ccccc2N(CCO)C1=O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 17/20 0.60
CCKBR P32239 17/20 0.60
SCN9A Q15858 1/20 0.53

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
SCHEMBL8533156 1.00 CCKAR (0.60) CCKARCCKBRSCN9A
SCHEMBL8533168 0.93 CCKAR (0.60) CCKARCCKBRSCN9A
SCHEMBL8533160 0.93 CCKAR (0.60) CCKARCCKBRSCN9A
SCHEMBL8536728 0.89 CCKBR (0.59) CCKARCCKBRSCN9A
SCHEMBL8536733 0.89 CCKBR (0.59) CCKARCCKBRSCN9A
SCHEMBL8537024 0.85 CCKBR (0.72) CCKARCCKBRSCN9A
SCHEMBL8537020 0.85 CCKBR (0.72) CCKARCCKBRSCN9A
SCHEMBL8538173 0.84 CCKBR (0.54) CCKARCCKBRSCN9A
SCHEMBL8534230 0.84 CCKBR (0.54) CCKARCCKBRSCN9A
SCHEMBL8775396 0.83 CCKBR (0.51) CCKARCCKBRSCN9A

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
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
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