SCHEMBL6178095

SCHEMBL6178095

CC(C)(C)OC(=O)CN1C(=O)C(N)CN(c2ccccc2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCKBR P32239 5/20 0.42

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
SCHEMBL1394353 0.85 ALDH1A1 (0.48) CCKBR
SCHEMBL6176423 0.85 ALDH1A1 (0.48) CCKBR
Oxalic Acid SCHEMBL6825177 0.82 ALDH1A1 (0.46) CCKBR
SCHEMBL6177709 0.82 CCKBR (0.43) MAPTSMN1; SMN2CCKBR
Oxalic Acid SCHEMBL6825172 0.82 ALDH1A1 (0.46) CCKBR
SCHEMBL6177759 0.82 CCKBR (0.43) SMN1; SMN2CCKBR
SCHEMBL9690349 0.80 CCKBR (0.52) CCKBR
SCHEMBL6176620 0.80 CCKBR (0.42) MAPTSMN1; SMN2CCKBR
SCHEMBL6176498 0.78 CCKBR (0.44) CCKBR
SCHEMBL6175835 0.78 BRD4 (0.43) MAPTSMN1; SMN2CCKBR

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