SCHEMBL9210970

SCHEMBL9210970

CCCCN1CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C(C(=O)OC)=C1Cl

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.52
AGTR2 P50052 4/20 0.49
LTB4R2 Q9NPC1 2/20 0.47

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
SCHEMBL9532908 0.72 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL8885452 0.71 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL363 0.71 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9734324 0.70 AGTR1 (0.55) AGTR1AGTR2LTB4R2
SCHEMBL9879808 0.70 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL3906504 0.69 BRS3 (0.70) AGTR1AGTR2LTB4R2
SCHEMBL7907661 0.69 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL9126087 0.69 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL202160 0.69 LTB4R2 (0.61) AGTR1LTB4R2
SCHEMBL9036827 0.69 AGTR1 (0.62) AGTR1AGTR2

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
EP-0427463-B1 Substituted N-(imidazolyl)alkyl alanine derivatives SMITHKLINE BEECHAM CORP (US) 1995-03-08 EP disclosed
US-5248689-A Hypotensive agents, congestive heart failure, renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-09-28 US disclosed
EP-0427463-A1 Substituted N-(imidazolyl)alkyl alanine derivatives SMITHKLINE BEECHAM CORPORATION (US) 1991-05-15 EP disclosed