SCHEMBL9087992

SCHEMBL9087992

CCCCc1nc2ccccc2n1Cc1ccc(N)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 8/20 0.70
▸ AGTR2 P50052 8/20 0.70
▸ TLR7 Q9NYK1 1/20 0.63
▸ PPARG P37231 3/20 0.60

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
SCHEMBL9086870 0.88 AGTR1 (0.72) AGTR1AGTR2PPARG
SCHEMBL13508735 0.88 AGTR1 (0.72) AGTR1AGTR2TLR7
SCHEMBL9129370 0.87 AGTR1 (0.74) AGTR1AGTR2PPARG
SCHEMBL9086625 0.87 AGTR1 (0.74) AGTR1AGTR2PPARG
SCHEMBL28487275 0.85 AGTR1 (0.76) AGTR1AGTR2PPARG
SCHEMBL29411886 0.85 AGTR1 (0.76) AGTR1AGTR2PPARG
SCHEMBL13508734 0.84 AGTR1 (0.71) AGTR1AGTR2PPARG
SCHEMBL4952279 0.84 AGTR1 (0.78) AGTR1AGTR2PPARG
SCHEMBL9122396 0.84 AGTR1 (0.66) AGTR1AGTR2PPARG
SCHEMBL13261296 0.83 AGTR1 (0.73) 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-5519138-A ANGIOTENSIN ANTAGONIST DR. KARL THOMAE GMBH (DE) 1996-05-21 — — US disclosed
EP-0529253-A1 Phenylalkylderivatives, compounds containing them and process for their fabrication Dr. Karl Thomae GmbH (DE) 1993-03-03 — — EP disclosed
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