SCHEMBL3837697

SCHEMBL3837697

CCCCC1(CC)C(=O)Sc2cc(OCC(=O)NC(C(=O)N[C@@H](C(=O)OC(C)(C)C)C3CCNCC3)c3ccccc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.42
ELANE P08246 1/20 0.30

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
SCHEMBL3838373 0.83 NR1H4 (0.50) NR1H4ELANE
SCHEMBL3835251 0.83 NR1H4 (0.44) NR1H4ELANE
SCHEMBL4618555 0.82 NR1H4 (0.46) NR1H4ELANE
SCHEMBL5721660 0.82 NR1H4 (0.45) NR1H4ELANE
SCHEMBL4598886 0.82 NR1H4 (0.43) NR1H4ELANE
SCHEMBL14677996 0.82 NR1H4 (0.48) NR1H4ELANE
SCHEMBL4665640 0.81 NR1H4 (0.44) NR1H4ELANE
SCHEMBL4598052 0.81 NR1H4 (0.51) NR1H4ELANE
SCHEMBL6026583 0.81 NR1H4 (0.47) NR1H4ELANE
SCHEMBL6989461 0.81 NR1H4 (0.51) NR1H4ELANE

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430040-A1 BENZOTHIAZEPINE DERIVATIVES Astrazeneca AB (SE) 2004-06-23 EP claimed
WO-2003020710-A1 BENZOTHIAZEPINE DERIVATIVES ASTRAZENECA AB (SE) 2003-03-13 WO claimed
EP-2013165-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSOR TION INHIBITOR ACTIVIT. Astra Zeneca AB (SE) 2009-01-14 EP disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
WO-2007126358-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSOR TION INHIBITOR ACTIVIT. ASTRAZENECA AB (SE) 2007-11-08 WO disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
EP-1699758-A1 DIPHENYLAZETIDINONE DERIVATES PROCESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061451-A1 DIPHENYLAZETIDINONE DERIVATES PROCESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed