SCHEMBL6175835

SCHEMBL6175835

CC(C)(C)OC(=O)CN1C(=O)C(N)CN(C(=O)C2CCCCC2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
CCKBR P32239 4/20 0.42
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6177709 0.84 CCKBR (0.43) CCKBRMAPTSMN1; SMN2
SCHEMBL6176620 0.84 CCKBR (0.42) CCKBRMAPTSMN1; SMN2
SCHEMBL6181018 0.80 CCKBR (0.43) CCKBR
SCHEMBL6178095 0.78 MAPT (0.42) CCKBRMAPTSMN1; SMN2
SCHEMBL6180308 0.77 CCKBR (0.69) CCKBR
SCHEMBL9690349 0.76 CCKBR (0.52) CCKBR
SCHEMBL9692280 0.76 CCKBR (0.55) CCKBRMAPTSMN1; SMN2
SCHEMBL30044625 0.76 CCKBR (0.60) CCKBRMAPTSMN1; SMN2
SCHEMBL5672901 0.76 CCKBR (0.60) CCKBRMAPTSMN1; SMN2
SCHEMBL5698825 0.76 CCKBR (0.60) CCKBRMAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed