SCHEMBL6179356

SCHEMBL6179356

COCN1C(=O)C(N)CN(c2ccccc2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SLC6A2 P23975 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
Hydrochloric Acid SCHEMBL6177549 0.99 GRM2 (0.34) GRM2MTNR1AMTNR1BLMNAPOLB
SCHEMBL7962381 0.87 KYAT1 (0.40) GRM2LMNAALDH1A1MAPTHPGD
SCHEMBL7962937 0.85 MEN1 (0.41) GRM2ALDH1A1MEN1KMT2AAADAT
SCHEMBL7961430 0.81 MTNR1A (0.40) GRM2MTNR1AMTNR1BALDH1A1MEN1
SCHEMBL6179154 0.79 MTNR1A (0.37) GRM2MTNR1AMTNR1BSLC6A2
SCHEMBL6176690 0.79 KCNH2 (0.34) GRM2MTNR1AMTNR1BPOLBMEN1
SCHEMBL1394353 0.78 ALDH1A1 (0.48) MTNR1AMTNR1BPOLBALDH1A1
SCHEMBL6176423 0.78 ALDH1A1 (0.48) MTNR1AMTNR1BPOLBALDH1A1
SCHEMBL4435857 0.77 GABRP (0.43) MTNR1AMTNR1BPOLBUSP2ALDH1A1
SCHEMBL4410604 0.77 GABRP (0.43) MTNR1AMTNR1BPOLBUSP2ALDH1A1

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