SCHEMBL6945211

SCHEMBL6945211

CNC(=O)C1CC(OCc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.51
MCL1 Q07820 10/20 0.48
HTRA1 Q92743 1/20 0.46
KLK7 P49862 1/20 0.45
MMP9 P14780 1/20 0.42
UCHL1 P09936 1/20 0.42
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
AGTR2 P50052 2/20 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
SCHEMBL6945215 1.00 ABCB1 (0.51) ABCB1MCL1HTRA1KLK7MMP9
SCHEMBL7279809 0.90 ABCB1 (0.51) ABCB1MCL1HTRA1KLK7MMP9
SCHEMBL7287734 0.89 ABCB1 (0.52) ABCB1MCL1KLK7UCHL1AGTR2
SCHEMBL26604823 0.89 ABCB1 (0.52) ABCB1MCL1KLK7UCHL1AGTR2
SCHEMBL708630 0.89 ABCB1 (0.52) ABCB1MCL1KLK7UCHL1AGTR2
SCHEMBL1448119 0.89 ABCB1 (0.52) ABCB1MCL1KLK7UCHL1AGTR2
SCHEMBL376159 0.89 ABCB1 (0.52) ABCB1MCL1KLK7UCHL1AGTR2
SCHEMBL3179881 0.89 ABCB1 (0.52) ABCB1MCL1KLK7UCHL1AGTR2
SCHEMBL949983 0.89 ABCB1 (0.52) ABCB1MCL1KLK7UCHL1AGTR2
SCHEMBL708629 0.89 ABCB1 (0.52) ABCB1MCL1KLK7UCHL1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155013-B1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2003-07-23 EP disclosed
US-6479515-B1 FOR THE TREATMENT OF PAIN AND INFLAMMATION, AND ESPECIALLY IN THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS FOURNIER INDUSTRIE ET SANTE (FR) 2002-11-12 US disclosed
WO-2000050418-A9 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2001-02-22 WO disclosed