SCHEMBL6176328

SCHEMBL6176328

COCN1C(=O)CCN(c2ccccc2F)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GRM5 P41594 1/20 0.39
AOC3 Q16853 2/20 0.38
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SCN9A Q15858 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR7 P34969 1/20 0.36
GRM2 Q14416 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6178488 0.83 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1CYP1A2HTR1A
SCHEMBL7962937 0.75 MEN1 (0.41) MEN1KMT2AGRM5SCN9AGRM2
SCHEMBL6178763 0.74 KMT2A (0.42) MEN1KMT2AGRM5L3MBTL1SCN9A
SCHEMBL6178758 0.74 KMT2A (0.42) MEN1KMT2AGRM5L3MBTL1SCN9A
SCHEMBL7421817 0.72 POLB (0.59) MEN1KMT2ALMNA
SCHEMBL6178914 0.71 TUBB4A (0.43) GRM5L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL6404666 0.68 MEN1 (0.56) MEN1KMT2AGRM5AOC3SCN9A
SCHEMBL5484265 0.68 LMNA (0.42) HSD17B10KDM4ENPC1ALDH1A1LMNA
SCHEMBL3770108 0.66 MEN1 (0.63) MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL30157756 0.66 MEN1 (0.63) MEN1KMT2AHSD17B10ALDH1A1

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