SCHEMBL9754859

SCHEMBL9754859

CCCc1nc2c(C)cccc2n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.60
▸ AGTR1 P30556 9/20 0.48
▸ AGTR2 P50052 4/20 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
SCHEMBL8848164 0.84 AGTR1 (0.47) PPARGAGTR1AGTR2
SCHEMBL8847745 0.84 AGTR1 (0.47) PPARGAGTR1AGTR2
SCHEMBL8848377 0.84 AGTR1 (0.48) PPARGAGTR1AGTR2
SCHEMBL8847462 0.83 AGTR1 (0.48) PPARGAGTR1AGTR2
SCHEMBL8848252 0.83 AGTR1 (0.48) PPARGAGTR1AGTR2
SCHEMBL9193828 0.83 AGTR1 (0.64) PPARGAGTR1AGTR2
SCHEMBL7306225 0.82 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8847591 0.82 AGTR1 (0.47) PPARGAGTR1AGTR2
SCHEMBL8848066 0.81 AGTR1 (0.46) PPARGAGTR1AGTR2
SCHEMBL8848102 0.81 AGTR1 (0.46) PPARGAGTR1AGTR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991013063-A1 NEW BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-09-05 — — WO disclosed
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