SCHEMBL9211004

SCHEMBL9211004

CCCCc1ncc(CCN[C@@H](Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.57
ABCC3 O15438 1/20 0.57
ABCC2 Q92887 1/20 0.57
AGTR2 P50052 1/20 0.53

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
SCHEMBL8536511 0.93 AGTR1 (0.67) AGTR1ABCC3ABCC2AGTR2
SCHEMBL9208575 0.86 AGTR1 (0.58) AGTR1
SCHEMBL8954159 0.85 AGTR1 (0.61) AGTR1ABCC3ABCC2AGTR2
SCHEMBL9203998 0.80 AGTR1 (0.75) AGTR1
SCHEMBL9210589 0.80 AGTR1 (0.75) AGTR1
SCHEMBL9213511 0.80 AGTR1 (0.75) AGTR1
SCHEMBL8534004 0.79 AGTR1 (0.59) AGTR1
SCHEMBL8957152 0.76 AGTR1 (0.61) AGTR1
SCHEMBL8439336 0.75 AGTR1 (0.48) AGTR1ABCC3ABCC2AGTR2
SCHEMBL9206267 0.75

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-0427463-B1 Substituted N-(imidazolyl)alkyl alanine derivatives SMITHKLINE BEECHAM CORP (US) 1995-03-08 EP disclosed
EP-0427463-A1 Substituted N-(imidazolyl)alkyl alanine derivatives SMITHKLINE BEECHAM CORPORATION (US) 1991-05-15 EP disclosed