SCHEMBL6180290

SCHEMBL6180290

CC(C)(C)OC(=O)NC1CN(C(=O)C2CCCCN2C(=O)OCc2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
FKBP1A P62942 5/20 0.44
PREP P48147 4/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4B Q07343 1/20 0.42
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6177679 0.98 CTSK (0.47) CTSKCTSBCTSSPREPNPC1
SCHEMBL6179135 0.98 CTSK (0.47) CTSKCTSBCTSSPREPNPC1
SCHEMBL6180846 0.85 SMN1; SMN2 (0.46) NPC1GAAMAPK1RAB9ASMN1; SMN2
SCHEMBL6176809 0.81 PREP (0.44) CTSKPREPGFERNPSR1
SCHEMBL6178571 0.81 CTSK (0.40) CTSKCTSBCTSSFKBP1APREP
SCHEMBL4988641 0.80 NPC1 (0.46) NPC1GAAMAPK1RAB9ASMN1; SMN2
SCHEMBL4988629 0.80 NPC1 (0.46) NPC1GAAMAPK1RAB9ASMN1; SMN2
SCHEMBL6178399 0.80 EPHX2 (0.43) GAA
SCHEMBL6176160 0.79 IDH1 (0.45) GAA
SCHEMBL6178686 0.78 PREP (0.42) CTSKPREPPDE4BGFERNPSR1

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