SCHEMBL7952877

SCHEMBL7952877

Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)OC4CCNCC4)c3Cl)c2n1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 8/20 0.61
RORC P51449 12/20 0.60
BDKRB1 P46663 1/20 0.58

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 SCHEMBL7952875 0.99 BDKRB2 (0.60) BDKRB2RORCBDKRB1
SCHEMBL7805291 0.90 BDKRB2 (0.67) BDKRB2RORCBDKRB1
SCHEMBL7805295 0.90 BDKRB2 (0.67) BDKRB2RORCBDKRB1
SCHEMBL7951571 0.90 RORC (0.64) BDKRB2RORCBDKRB1
SCHEMBL7951569 0.90 RORC (0.64) BDKRB2RORCBDKRB1
SCHEMBL7959570 0.89 RORC (0.58) BDKRB2RORC
SCHEMBL7814538 0.89 RORC (0.74) BDKRB2RORC
SCHEMBL7814536 0.89 RORC (0.74) BDKRB2RORC
SCHEMBL7812348 0.88 BDKRB2 (0.69) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL7954317 0.88 BDKRB2 (0.68) BDKRB2RORCBDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211181-B1 ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIALLERGENS, AND ANTIASTHMATICS FOURNIER INDUSTRIE ET SANTE (FR) 2001-04-03 US disclosed