SCHEMBL6176331

SCHEMBL6176331

CCOC(=O)c1ccc(NC(=O)NC2CN(C3CCCCC3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.55
CCKAR P32238 5/20 0.55
MAPT P10636 2/20 0.51
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6193345 0.90 CCKBR (0.46) CCKBRCCKARMAPTRAB9ANPC1
SCHEMBL6180953 0.85 MAPT (0.47) CCKBRCCKARMAPTRAB9ANPC1
SCHEMBL6178977 0.82 CCKBR (0.57) CCKBRCCKAR
SCHEMBL6177552 0.80 CCKBR (0.49) CCKBRCCKARMAPT
SCHEMBL6179633 0.79 CCKBR (0.60) CCKBR
SCHEMBL6177891 0.79 CCKBR (0.48) CCKBRCCKAR
SCHEMBL7960849 0.78 CCKBR (0.47) CCKBRCCKARRAB9A
SCHEMBL6192779 0.77 MAPT (0.39) CCKBRCCKARMAPTRAB9ANPC1
SCHEMBL6178534 0.76 CCKBR (0.48) CCKBRCCKAR
SCHEMBL6176858 0.76 CCKBR (0.47) CCKBRCCKAR

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