SCHEMBL6946273

SCHEMBL6946273

CC(=O)OCCOCCN1CCC(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(COc3cccc4c(-n5cncn5)cc(C)nc34)c2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 18/20 0.59
BDKRB2 P30411 2/20 0.52

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
SCHEMBL6941548 0.96 RORC (0.60) RORCBDKRB2
SCHEMBL6945222 0.94 RORC (0.60) RORCBDKRB2
SCHEMBL6943028 0.91 RORC (0.62) RORCBDKRB2
SCHEMBL6939232 0.91 RORC (0.73) RORCBDKRB2
SCHEMBL7648119 0.89 RORC (0.63) RORCBDKRB2
SCHEMBL6943370 0.89 RORC (0.65) RORCBDKRB2
SCHEMBL7646234 0.89 RORC (0.65) RORCBDKRB2
SCHEMBL6941052 0.88 RORC (0.60) RORCBDKRB2
SCHEMBL6941058 0.87 RORC (0.76) RORCBDKRB2
SCHEMBL6939742 0.87 RORC (0.65) RORCBDKRB2

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