SCHEMBL6181003

SCHEMBL6181003

O=C(NC1CN(c2ccccc2)c2ccccc2N(CC(=O)c2ccco2)C1=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
ACE P12821 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
PREP P48147 2/20 0.39
CASP3 P42574 1/20 0.38
NAAA Q02083 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP1 Q9P0U3 1/20 0.37

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
SCHEMBL6180175 0.85 ACE (0.41) ACEPREPNAAANPC1MAPT
SCHEMBL6178982 0.83 ACE (0.41) ACEGAACTSLCTSBCTSK
SCHEMBL6176498 0.82 CCKBR (0.44)
SCHEMBL6179148 0.81 SCN9A (0.47) GAACTSLCTSBCTSKPREP
SCHEMBL6180398 0.81 CCKAR (0.44) ACEPREPNAAA
SCHEMBL6179763 0.81 CCKBR (0.43) POLBALDH1A1
SCHEMBL6178453 0.80 NPC1 (0.47) POLBSMN1; SMN2LMNAMAPK1GAA
SCHEMBL6179121 0.80 POLB (0.52) POLBGAAMEN1NPC1ALDH1A1
SCHEMBL6176834 0.79 ACE (0.42) ACEGAAPREPNAAA
SCHEMBL7962689 0.74 BRD4 (0.40) PREPALDH1A1

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