SCHEMBL9136781

SCHEMBL9136781

CCCCc1nc2ccccc2n1Cc1ccc2nc(-c3ccccc3)n(Cc3nnn[nH]3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 8/20 0.53
▸ AGTR2 P50052 8/20 0.53
▸ TP53 P04637 2/20 0.48
▸ MAPT P10636 1/20 0.48

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
SCHEMBL9138449 0.95 AGTR1 (0.53) AGTR1AGTR2TP53MAPT
Water SCHEMBL9138010 0.82 PPARG (0.58) AGTR1AGTR2TP53
SCHEMBL9137910 0.81 AGTR1 (0.57) AGTR1AGTR2TP53MAPT
SCHEMBL9137942 0.81 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9135348 0.79 PPARG (0.58) AGTR1AGTR2TP53MAPT
SCHEMBL9136730 0.78 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9139089 0.77 GPR4 (0.51) AGTR1AGTR2
SCHEMBL8789359 0.76 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9136736 0.75 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9137086 0.75 AGTR1 (0.57) AGTR1AGTR2TP53MAPT

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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