SCHEMBL6180449

SCHEMBL6180449

CN1CC(N)C(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 2/20 0.44
CCKBR P32239 2/20 0.44
POLB P06746 1/20 0.43
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLQ O75417 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
SCHEMBL6179501 0.86 CCKAR (0.45) CCKARCCKBRPOLBDRD4ALDH1A1
SCHEMBL6181562 0.83 POLB (0.48) CCKARCCKBRPOLBDRD4GAA
SCHEMBL6178348 0.78 SCN9A (0.47) CCKARCCKBRPOLB
SCHEMBL4703310 0.75 CYP1A2 (0.39)
SCHEMBL8552734 0.73 POLB (0.44) CCKARCCKBRPOLBALDH1A1POLQ
SCHEMBL4064792 0.72 AADAT (0.54) POLB
SCHEMBL14373863 0.72 POLQ (0.46) DRD4ALDH1A1GAAAPOBEC3AAPOBEC3G
SCHEMBL9573635 0.71 GABRP (0.56) CCKARCCKBRPOLB
SCHEMBL3455174 0.70 DRD4 (0.59) DRD4ALDH1A1GAAAPOBEC3AAPOBEC3G
SCHEMBL4424732 0.69 GABRP (0.44) CCKBRALDH1A1

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