SCHEMBL7718792

SCHEMBL7718792

COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.49
BDKRB1 P46663 1/20 0.49
RORC P51449 12/20 0.44
HCRTR1 O43613 5/20 0.44
HCRTR2 O43614 5/20 0.44
CASP3 P42574 1/20 0.44
HSD11B1 P28845 1/20 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
SCHEMBL7956416 0.90 BDKRB2 (0.50) BDKRB2BDKRB1RORCHCRTR1HCRTR2
SCHEMBL8187379 0.89 BDKRB2 (0.43) BDKRB2BDKRB1HCRTR1HCRTR2CASP3
SCHEMBL6939720 0.86 MMP8 (0.53) BDKRB2BDKRB1RORC
SCHEMBL6944021 0.86 MMP8 (0.53) BDKRB2BDKRB1RORC
SCHEMBL7811395 0.85 BDKRB2 (0.60) BDKRB2BDKRB1RORCHCRTR1HCRTR2
SCHEMBL7954323 0.84 TSHR (0.43) BDKRB2BDKRB1
SCHEMBL7649083 0.83 ALDH1A1 (0.54) BDKRB2BDKRB1RORC
SCHEMBL6936920 0.81 RORC (0.54) RORCCASP3
SCHEMBL6936917 0.81 RORC (0.54) RORCCASP3
SCHEMBL7643692 0.81 RORC (0.45) BDKRB2BDKRB1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6211181-B1 ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIALLERGENS, AND ANTIASTHMATICS FOURNIER INDUSTRIE ET SANTE (FR) 2001-04-03 US disclosed
US-6080758-A ANALGESICS, ANTIINFLAMMATORY AGENTS; ASTHMA; ALLERGIC RHINITIS FOURNIER INDUSTRIE ET SANTE (FR) 2000-06-27 US disclosed
US-6063791-A N-benzenesulfonyl-L-proline derivatives, method for preparing and therapeutic use FOURNIER INDUSTRIE ET SANTE (FR) 2000-05-16 US disclosed