SCHEMBL4697387

SCHEMBL4697387

NCc1ccc(CC(NC(=O)CC(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)C(=O)N2CCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.64
BDKRB1 P46663 9/20 0.61
BDKRB2 P30411 3/20 0.59
PLG P00747 1/20 0.57
PLAU P00749 1/20 0.57
F10 P00742 1/20 0.57

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
Hydrochloric Acid SCHEMBL5151629 0.99 F2 (0.63) F2BDKRB1BDKRB2PLGPLAU
SCHEMBL5171843 0.92 BDKRB1 (0.62) F2BDKRB1BDKRB2PLGPLAU
SCHEMBL5155814 0.92 BDKRB1 (0.63) F2BDKRB1BDKRB2PLGPLAU
SCHEMBL5155432 0.90 BDKRB1 (0.62) F2BDKRB1BDKRB2PLGPLAU
SCHEMBL5231137 0.90 BDKRB1 (0.73) BDKRB1BDKRB2
SCHEMBL5155438 0.90 BDKRB1 (0.60) F2BDKRB1BDKRB2PLGPLAU
Hydrochloric Acid SCHEMBL5151384 0.90 BDKRB1 (0.72) BDKRB1BDKRB2
SCHEMBL5151192 0.90 BDKRB1 (0.58) F2BDKRB1BDKRB2PLGPLAU
Hydrochloric Acid SCHEMBL5150900 0.89 BDKRB1 (0.60) F2BDKRB1BDKRB2PLGPLAU
SCHEMBL5155532 0.89 BDKRB1 (0.58) F2BDKRB1BDKRB2PLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966142-A2 NEW PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2008-09-10 EP disclosed
EP-1373233-B1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-05 EP disclosed
WO-2007072092-A2 NEW PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2007-06-28 WO disclosed
EP-1373233-A1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-01-02 EP disclosed
WO-2002076964-A1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-10-03 WO disclosed