SCHEMBL6178514

SCHEMBL6178514

O=C(NC1CN(C(=O)C2CCCCC2)c2ccccc2NC1=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
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
NAAA Q02083 6/20 0.45
ASAH1 Q13510 1/20 0.45
IDO1 P14902 2/20 0.45
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 2/20 0.43
IDH1 O75874 1/20 0.43
TDO2 P48775 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13130611 0.85 NAAA (0.46) GAANPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL6176821 0.83 GAA (0.48) GAANPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL6176160 0.82 IDH1 (0.45) GAAIDO1ALDH1A1IDH1TSHR
SCHEMBL6181701 0.82 ALDH1A1 (0.44) GAANAAAASAH1EPHX1ALDH1A1
SCHEMBL6178399 0.81 EPHX2 (0.43) GAAIDO1ALDH1A1IDH1KMT2A
SCHEMBL6180846 0.81 SMN1; SMN2 (0.46) GAANPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL6176791 0.81 NAAA (0.48) GAANPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL6195215 0.78 CCKBR (0.47) GAANPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL6180290 0.77 CTSK (0.48) GAANPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL6175840 0.77 EPHX2 (0.45) GAAIDO1IDH1

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