SCHEMBL9709672

SCHEMBL9709672

Cc1ccc2nc(C3CC3)c(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c(C(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.40
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35

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
SCHEMBL9710094 0.89 PRKAA2 (0.38) DHODH
SCHEMBL9709653 0.86 DHODH (0.41) DHODH
SCHEMBL9709521 0.85 PDE4A (0.43)
SCHEMBL9709610 0.84
SCHEMBL9709742 0.83
SCHEMBL9710152 0.78 AGTR1 (0.38) DHODHAGTR1
SCHEMBL9709598 0.78 PLA2G2A (0.43)
SCHEMBL9709489 0.75 PDE4A (0.45)
SCHEMBL9040776 0.74
SCHEMBL9709728 0.74 PDE4A (0.42)

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
US-5157040-A Treatment of hypertension, ocular hypertension and some CNS disorders MERCK & CO., INC. (US) 1992-10-20 US disclosed
EP-0507594-A1 Substituted quinolines as angiotensin II antagonists MERCK & CO. INC. (US) 1992-10-07 EP disclosed