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SCHEMBL7006073

SCHEMBL7006073

CC(=O)O/N=C(/N)c1ccc(C(=O)NCCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(COc3cccn4c(C(C)=O)c(C)nc34)c2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 2/20 0.60
▸ RORC P51449 17/20 0.46
▸ GUCY1B2 O75343 1/20 0.42
▸ GUCY1A2 P33402 1/20 0.42
▸ GUCY1A1 Q02108 1/20 0.42
▸ GUCY1B1 Q02153 1/20 0.42

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
SCHEMBL7006076 1.00 BDKRB2 (0.60) BDKRB2RORCGUCY1B2GUCY1A2GUCY1A1
SCHEMBL7006561 0.95 BDKRB2 (0.60) BDKRB2RORC
SCHEMBL7006563 0.95 BDKRB2 (0.60) BDKRB2RORC
SCHEMBL7011823 0.95 BDKRB2 (0.60) BDKRB2RORC
SCHEMBL7011827 0.95 BDKRB2 (0.60) BDKRB2RORC
SCHEMBL7014628 0.94 BDKRB2 (0.61) BDKRB2RORCGUCY1B2GUCY1A2GUCY1A1
SCHEMBL7014632 0.94 BDKRB2 (0.61) BDKRB2RORCGUCY1B2GUCY1A2GUCY1A1
SCHEMBL7010193 0.92 BDKRB2 (0.70) BDKRB2RORCGUCY1B2GUCY1A2GUCY1A1
SCHEMBL7014798 0.91 BDKRB2 (0.63) BDKRB2RORC
SCHEMBL7010198 0.90 BDKRB2 (0.59) BDKRB2RORCGUCY1B2GUCY1A2GUCY1A1

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