SCHEMBL9709653

SCHEMBL9709653

CCc1nc2ccc(C)cc2c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL9709521 0.93 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709610 0.92
SCHEMBL9709742 0.91
SCHEMBL9709672 0.86 DHODH (0.40) DHODH
SCHEMBL9709598 0.85 PLA2G2A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709489 0.82 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709728 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709539 0.80 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709566 0.77 AGTR1 (0.40)
SCHEMBL9710094 0.77 PRKAA2 (0.38) DHODHPDE4APDE4BPDE4CPDE4D

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