SCHEMBL9139089

SCHEMBL9139089

CCc1nc2c(C)cc(C)nc2n1Cc1ccc2nc(-c3ccccc3)n(Cc3nnn[nH]3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GPR4 P46093 2/20 0.51
▸ AGTR1 P30556 2/20 0.51
▸ AGTR2 P50052 2/20 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
SCHEMBL9137156 0.93 GPR4 (0.53) GPR4AGTR1AGTR2
SCHEMBL9563137 0.82 AGTR2 (0.57) GPR4AGTR1AGTR2
SCHEMBL9137989 0.82 GPR4 (0.50) GPR4
SCHEMBL8741166 0.78 AGTR2 (0.61) GPR4AGTR1AGTR2
SCHEMBL8999434 0.78 — —
SCHEMBL8140704 0.77 GPR4 (0.54) GPR4AGTR1AGTR2
Water SCHEMBL9138010 0.77 PPARG (0.58) AGTR1AGTR2
SCHEMBL9136781 0.77 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL4370054 0.76 GPR4 (0.63) GPR4AGTR1AGTR2
SCHEMBL13743046 0.76 AGTR1 (0.66) 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
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