SCHEMBL4767115

SCHEMBL4767115

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2CO)c(S(=O)(=O)N(COC(C)[Si](C)(C)C)c2onc(C)c2C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.53
EDNRA P25101 4/20 0.53
ACHE P22303 3/20 0.44
LTB4R2 Q9NPC1 3/20 0.44
AGTR2 P50052 2/20 0.44
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2B P41595 1/20 0.41
PDE3A Q14432 1/20 0.41
SLC10A1 Q14973 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
SCHEMBL5787263 0.95 AGTR1 (0.56) AGTR1EDNRAACHELTB4R2AGTR2
SCHEMBL5788663 0.92 AGTR1 (0.59) AGTR1EDNRAACHELTB4R2AGTR2
SCHEMBL4764964 0.92 AGTR1 (0.59) AGTR1EDNRAACHELTB4R2AGTR2
SCHEMBL4769446 0.91 AGTR1 (0.56) AGTR1EDNRAACHELTB4R2AGTR2
SCHEMBL4771286 0.90 AGTR1 (0.55) AGTR1EDNRAACHELTB4R2AGTR2
SCHEMBL4767110 0.90 AGTR1 (0.53) AGTR1EDNRAACHELTB4R2AGTR2
SCHEMBL5531642 0.90 AGTR1 (0.56) AGTR1EDNRAACHELTB4R2AGTR2
SCHEMBL4767459 0.89 EDNRA (0.56) AGTR1EDNRAACHELTB4R2AGTR2
SCHEMBL4775967 0.89 AGTR1 (0.54) AGTR1EDNRAACHELTB4R2AGTR2
SCHEMBL4769923 0.89 AGTR1 (0.54) AGTR1EDNRAACHELTB4R2AGTR2

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
EP-2002837-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-17 EP disclosed