SCHEMBL9851411

SCHEMBL9851411

CCCSc1ccc2nc(CCC)n(Cc3ccc(-c4ccccc4-c4nnnn4C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.59
AGTR2 P50052 7/20 0.59
AGT P01019 2/20 0.52
PPARG P37231 4/20 0.40

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
SCHEMBL9851417 0.88 AGTR1 (0.63) AGTR1AGTR2AGTPPARG
SCHEMBL9851404 0.87 AGTR1 (0.59) AGTR1AGTR2AGTPPARG
SCHEMBL9851446 0.85 AGTR1 (0.60) AGTR1AGTR2AGTPPARG
SCHEMBL9851503 0.85 AGTR1 (0.60) AGTR1AGTR2AGTPPARG
SCHEMBL9851527 0.85 AGTR1 (0.60) AGTR1AGTR2AGTPPARG
SCHEMBL9851487 0.84 AGTR1 (0.63) AGTR1AGTR2AGTPPARG
SCHEMBL9704161 0.82 AGTR1 (0.57) AGTR1AGTR2AGTPPARG
SCHEMBL9402017 0.82 AGTR1 (0.69) AGTR1AGTR2AGTPPARG
SCHEMBL9705154 0.81 AGTR1 (0.64) AGTR1AGTR2AGTPPARG
SCHEMBL9704134 0.81 AGTR1 (0.64) AGTR1AGTR2AGTPPARG

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
EP-0434038-A1 Fused imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-26 EP disclosed