SCHEMBL6181360

SCHEMBL6181360

CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2cccc(CC(O)=S)c2)CN(c2ccccc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.56
NPY1R P25929 7/20 0.51
USP30 Q70CQ3 1/20 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
SCHEMBL6181356 0.93 CCKBR (0.56) CCKBRNPY1RUSP30
SCHEMBL6175859 0.91 NPY1R (0.47) CCKBRNPY1R
SCHEMBL6176525 0.88 CCKBR (0.59) CCKBRNPY1R
SCHEMBL6179236 0.86 CCKBR (0.54) CCKBRNPY1R
SCHEMBL6178421 0.84 CCKBR (0.51) CCKBRNPY1R
SCHEMBL6179489 0.83 CCKBR (0.54) CCKBRNPY1R
SCHEMBL6175856 0.83 CCKBR (0.48) CCKBRNPY1R
SCHEMBL6176572 0.80 CCKBR (0.50) CCKBRNPY1R
SCHEMBL6176498 0.79 CCKBR (0.44) CCKBR
SCHEMBL6178425 0.79 CCKBR (0.44) CCKBRNPY1R

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