SCHEMBL6178758

SCHEMBL6178758

COCN1C(=O)/C(=N/O)CN(c2ccccc2F)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GRM5 P41594 1/20 0.36
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
SCN9A Q15858 2/20 0.33
MAPT P10636 1/20 0.33
GRM2 Q14416 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
KCNN4 O15554 1/20 0.32
PGR P06401 1/20 0.32
P2RX7 Q99572 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6178763 1.00 KMT2A (0.42) KMT2AMEN1GRM5PTGS1PTGS2
SCHEMBL6177274 0.85 UGCG (0.37) KMT2AMEN1L3MBTL1
SCHEMBL6177278 0.85 UGCG (0.37) KMT2AMEN1L3MBTL1
SCHEMBL7950921 0.80 KMT2A (0.33) KMT2AMEN1GRM5MAPTGRM2
SCHEMBL7962037 0.74 ALDH1A1 (0.38) GRM5MAPTGRM2L3MBTL1
SCHEMBL7962031 0.74 ALDH1A1 (0.38) GRM5MAPTGRM2L3MBTL1
SCHEMBL6176328 0.74 MEN1 (0.47) KMT2AMEN1GRM5SCN9AGRM2
SCHEMBL7962937 0.71 MEN1 (0.41) KMT2AMEN1GRM5SCN9AGRM2
SCHEMBL6176656 0.66 CASP3 (0.34) KMT2AMAPT
SCHEMBL5484265 0.64 LMNA (0.42) MAPT

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