SCHEMBL27562147

SCHEMBL27562147

CCCCC(=O)N(Cc1ccc(-c2ccccc2)c(S(=O)(=O)Nc2noc(C)c2C)c1)[C@H](C(=O)NCCC(C)(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
ABCB11 O95342 1/20 0.41
GP6 Q9HCN6 1/20 0.41
EDNRA P25101 4/20 0.40
EDNRB P24530 2/20 0.39

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
SCHEMBL4776089 0.92 AGTR1 (0.44) AGTR1LTB4R2ABCB11GP6EDNRA
SCHEMBL27562149 0.90 EDNRB (0.45) EDNRAEDNRB
SCHEMBL4764390 0.87 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6EDNRA
SCHEMBL4771284 0.86 AGTR1 (0.45) AGTR1LTB4R2ABCB11GP6EDNRA
SCHEMBL4771858 0.85 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6EDNRA
SCHEMBL4773395 0.83 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6EDNRA
SCHEMBL5528397 0.83 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6EDNRA
SCHEMBL7849912 0.83 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6EDNRA
SCHEMBL4775326 0.82 EDNRA (0.54) AGTR1EDNRAEDNRB
SCHEMBL4774066 0.82 AGTR1 (0.44) AGTR1LTB4R2ABCB11GP6EDNRA

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
CN-1308536-A Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2001-08-15 CN claimed