SCHEMBL6178448

SCHEMBL6178448

O=C(NN1C(=O)CCN(c2ccccc2)c2ccccc21)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PREP P48147 2/20 0.41
MGAT2 Q10469 1/20 0.41
F10 P00742 1/20 0.41
CASP1 P29466 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
NOTUM Q6P988 1/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.38
GFER P55789 1/20 0.38
MAPK1 P28482 2/20 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
SCHEMBL7423680 0.81 L3MBTL1 (0.52) NPC1RAB9AL3MBTL1GAANOTUM
SCHEMBL876242 0.79 CASP1 (0.48) NPC1RAB9ACASP1GAALMNA
SCHEMBL6178825 0.77 GAA (0.45) NPC1RAB9AL3MBTL1GAALMNA
SCHEMBL10832646 0.76 PREP (0.47) NPC1RAB9AL3MBTL1PREPCASP1
SCHEMBL1903246 0.71 TSHR (0.45) PREPGAA
SCHEMBL7379822 0.71 CASP1 (0.52) NPC1RAB9AL3MBTL1PREPMGAT2
SCHEMBL5647759 0.71 LIPE (0.49) NPC1RAB9AL3MBTL1GAALMNA
SCHEMBL7045087 0.70 NPC1 (0.61) NPC1RAB9AL3MBTL1PREPGAA
SCHEMBL5638173 0.70 MEN1 (0.60) NPC1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL14656694 0.70 ALDH1A1 (0.43) PREPGAA

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