SCHEMBL9135644

SCHEMBL9135644

CCCCc1nc2ccccc2n1Cc1ccc2c(c1)nc(-c1ccccc1)n2CC(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 6/20 0.61
▸ AGTR2 P50052 6/20 0.61
▸ PPARG P37231 3/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL9136730 0.95 AGTR1 (0.61) AGTR1AGTR2PPARGCYP1A2CYP2C9
SCHEMBL9136736 0.91 AGTR1 (0.65) AGTR1AGTR2PPARGKDM4E
SCHEMBL9137942 0.85 AGTR1 (0.65) AGTR1AGTR2PPARGKDM4E
SCHEMBL9137178 0.84 PPARG (0.65) AGTR1AGTR2PPARGCYP1A2CYP2C9
SCHEMBL9137086 0.81 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL9139364 0.78 PPARG (0.66) AGTR1AGTR2PPARGCYP1A2CYP2C9
SCHEMBL9138449 0.78 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9087920 0.77 AGTR1 (0.76) AGTR1AGTR2PPARG
SCHEMBL9135706 0.77 — —
SCHEMBL9198204 0.76 AGTR1 (1.00) AGTR1AGTR2PPARG

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-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 — — US disclosed
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 — — EP disclosed
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