SCHEMBL6176791

SCHEMBL6176791

O=C(NC1CN(c2ccccc2)c2ccccc2NC1=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.48
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IDO1 P14902 4/20 0.46
TDO2 P48775 2/20 0.46
PREP P48147 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 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
SCHEMBL6195215 0.89 CCKBR (0.47) NAAAGAANPC1MAPK1RAB9A
SCHEMBL6178737 0.86 KCNQ2 (0.45) NAAAPREP
SCHEMBL1394234 0.83 RIPK1 (0.41) GAAALDH1A1
SCHEMBL6827502 0.82 EPHX2 (0.46) GAAIDO1
SCHEMBL6827497 0.82 EPHX2 (0.46) GAAIDO1
SCHEMBL22363306 0.82 EPHX2 (0.46) GAAIDO1
SCHEMBL6176821 0.82 GAA (0.48) NAAAGAANPC1MAPK1RAB9A
SCHEMBL13130611 0.82 NAAA (0.46) NAAAGAANPC1MAPK1RAB9A
SCHEMBL6178514 0.81 GAA (0.47) NAAAGAANPC1MAPK1RAB9A
SCHEMBL542273 0.81 MTNR1A (0.44) GAASMN1; SMN2ALDH1A1

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