SCHEMBL2052910

SCHEMBL2052910

CCCCC1(C(=O)O)NC(Cl)=CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.38
AGTR2 P50052 6/20 0.38

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
SCHEMBL8900515 0.75 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL16403650 0.72 LTB4R2 (0.35) AGTR1AGTR2
SCHEMBL9667305 0.71 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL594508 0.71 AGTR1 (0.52) AGTR1AGTR2
Carboxylic Acid Metabolite SCHEMBL179 0.71 AGTR2 (0.72) AGTR1AGTR2
SCHEMBL3118878 0.71 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL6953051 0.71 HSD11B1 (0.47) AGTR1AGTR2
SCHEMBL7311684 0.70 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL7308377 0.70 AGTR1 (0.61) AGTR1AGTR2
Carboxylic Acid Metabolite SCHEMBL9468825 0.70 AGTR2 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160120-A1 Agonists of Guanylate Cyclase Useful for the Treatment of Gastrointestinal Disorders, Inflammation, Cancer and Other Disorders SYNERGY PHARMACEUTICALS INC. (US) 2011-06-30 US disclosed