SCHEMBL6178571

SCHEMBL6178571

Cc1ccccc1C(=O)CN1C(=O)C(NC(=O)OC(C)(C)C)CN(C(=O)C2CCCCN2C(=O)OCc2ccccc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
PREP P48147 5/20 0.40
FKBP1A P62942 2/20 0.40
PDE4B Q07343 1/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KLK7 P49862 2/20 0.38

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
SCHEMBL6178686 0.98 PREP (0.42) CTSKPREPPDE4BGFERMEN1
SCHEMBL6176809 0.87 PREP (0.44) CTSKPREPGFERKLK7
SCHEMBL6176839 0.87 HTT (0.41) PDE4B
SCHEMBL6181436 0.83 CCKBR (0.41) CTSKCTSBCTSSGFER
SCHEMBL6177673 0.83 ACE (0.38)
SCHEMBL6175171 0.82 TSHR (0.38) MEN1KMT2A
SCHEMBL6177871 0.82 ACE (0.39)
SCHEMBL7950707 0.82 PDE4B (0.38) PDE4B
SCHEMBL6180327 0.81 TSHR (0.41) PREPGFERMEN1KMT2A
SCHEMBL6180290 0.81 CTSK (0.48) CTSKCTSBCTSSPREPFKBP1A

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