SCHEMBL9370808

SCHEMBL9370808

CCCCc1cc(C(=O)Nc2cccc(C(=O)O)c2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.42
PTGER4 P35408 1/20 0.41
AGTR2 P50052 3/20 0.40

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
SCHEMBL9367639 0.93 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9366847 0.91 MAPT (0.47) AGTR1AGTR2
SCHEMBL9370216 0.88 CNR1 (0.43)
SCHEMBL9366815 0.88 MEN1 (0.44) AGTR1AGTR2
SCHEMBL9366568 0.87 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9366410 0.87 MALT1 (0.44) AGTR1AGTR2
SCHEMBL9370771 0.86 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9366797 0.86 AKR1C3 (0.44) AGTR1AGTR2
SCHEMBL9372220 0.85 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9371947 0.85 AGTR1 (0.40) 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-0411507-B1 Pyrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-26 EP disclosed
US-5183899-A Cardiovascular disorders, hypotensive disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-02 US disclosed
EP-0411507-A1 Pyrazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-02-06 EP disclosed