SCHEMBL9138449

SCHEMBL9138449

CCCCc1nc2ccccc2n1Cc1ccc2c(c1)nc(-c1ccccc1)n2Cc1nnn[nH]1

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
SCHEMBL9136781 0.95 AGTR1 (0.53) AGTR1AGTR2TP53MAPT
SCHEMBL9135348 0.84 PPARG (0.58) AGTR1AGTR2TP53MAPT
SCHEMBL9137086 0.81 AGTR1 (0.57) AGTR1AGTR2TP53MAPT
SCHEMBL9136736 0.81 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9135644 0.78 AGTR1 (0.61) AGTR1AGTR2
Water SCHEMBL9138010 0.78 PPARG (0.58) AGTR1AGTR2TP53
SCHEMBL9137156 0.77 GPR4 (0.53) AGTR1AGTR2
SCHEMBL9137910 0.75 AGTR1 (0.57) AGTR1AGTR2TP53MAPT
SCHEMBL9137942 0.75 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL8393351 0.74 AGTR1 (0.70) 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 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
Send feedback