SCHEMBL7005555

SCHEMBL7005555

Cc1nc2c(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)N4CCN(C(=O)c5ccc(C(N)=NO)cc5)CC4)c3Cl)cccn2c1C

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 18/20 0.51
BDKRB2 P30411 2/20 0.45

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
SCHEMBL7005554 1.00 RORC (0.51) RORCBDKRB2
SCHEMBL7011654 0.95 RORC (0.51) RORCBDKRB2
SCHEMBL7011656 0.95 RORC (0.51) RORCBDKRB2
SCHEMBL7008057 0.93 RORC (0.49) RORCBDKRB2
SCHEMBL7008059 0.93 RORC (0.49) RORCBDKRB2
SCHEMBL7007117 0.92 BDKRB2 (0.52) RORCBDKRB2
SCHEMBL7007118 0.92 BDKRB2 (0.52) RORCBDKRB2
Hydrochloric Acid SCHEMBL7719780 0.92 BDKRB2 (0.52) RORCBDKRB2
Hydrochloric Acid SCHEMBL7719778 0.92 BDKRB2 (0.52) RORCBDKRB2
SCHEMBL7010095 0.91 RORC (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991650-B1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER IND & SANTE (FR) 2003-09-10 EP disclosed
US-6384222-B1 BRADYKININ HORMONE ANTAGONIST; ANALGESIC, ANTIINFLAMMATORY; ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS; ETHERIFICATION, AMIDATION FOURNIER INDUSTRIE ET SANTE (FR) 2002-05-07 US disclosed