SCHEMBL6180501

SCHEMBL6180501

CC(C)(C)C(=O)CN1C(=O)C(N)CN(C2CCCC2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.44
CCKAR P32238 13/20 0.44
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.38

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
SCHEMBL1394355 0.99 CCKBR (0.46) CCKBRCCKARALDH1A1POLB
SCHEMBL6178926 0.99 CCKBR (0.46) CCKBRCCKARALDH1A1POLB
SCHEMBL541718 0.99 CCKBR (0.46) CCKBRCCKARALDH1A1POLB
SCHEMBL19949397 0.99 CCKBR (0.46) CCKBRCCKARALDH1A1POLB
SCHEMBL6193195 0.99 CCKBR (0.46) CCKBRCCKARALDH1A1POLB
Hydrochloric Acid SCHEMBL6178190 0.98 CCKBR (0.45) CCKBRCCKARALDH1A1POLB
Oxalic Acid SCHEMBL6821968 0.96 CCKBR (0.44) CCKBRCCKARALDH1A1POLB
Oxalic Acid SCHEMBL6821965 0.96 CCKBR (0.44) CCKBRCCKARALDH1A1POLB
Oxalic Acid SCHEMBL6824565 0.95 CCKBR (0.43) CCKBRCCKARALDH1A1POLB
Oxalic Acid SCHEMBL6824572 0.95 CCKBR (0.43) CCKBRCCKARALDH1A1POLB

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