SCHEMBL8181772

SCHEMBL8181772

COc1c(S(=O)(=O)N2CCC[C@H]2C(=O)O)ccc(Cl)c1COc1cccc2c(C)cc(C)nc12

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.71
BDKRB2 P30411 3/20 0.60

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
SCHEMBL8182135 0.94 RORC (0.63) RORCBDKRB2
SCHEMBL8189405 0.92 RORC (0.62) RORCBDKRB2
SCHEMBL6946090 0.92 RORC (0.83) RORCBDKRB2
SCHEMBL3743960 0.92 RORC (0.83) RORCBDKRB2
SCHEMBL8183352 0.87 RORC (0.54) RORCBDKRB2
SCHEMBL7952802 0.87 RORC (0.72) RORCBDKRB2
SCHEMBL6946877 0.86 RORC (0.65) RORCBDKRB2
SCHEMBL8183485 0.85 BDKRB2 (0.66) RORCBDKRB2
SCHEMBL8183487 0.85 BDKRB2 (0.66) RORCBDKRB2
SCHEMBL8184996 0.85 RORC (0.55) 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
US-6071917-A ANALGESICS; ANTIINFLAMMATORY AGENTS; ESPECIALLY FOR THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS; COMPETITIVE BINDING AT RECEPTORS FOURNIER INDUSTRIE ET SANTE (FR) 2000-06-06 US disclosed
EP-0925295-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1999-06-30 EP disclosed
WO-1998003503-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1998-01-29 WO disclosed