SCHEMBL9851454

SCHEMBL9851454

CCCc1nc2c(C#N)nccc2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.58
AGTR2 P50052 5/20 0.58
AGT P01019 2/20 0.46
PPARG P37231 7/20 0.45
TLR7 Q9NYK1 1/20 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
SCHEMBL9851510 0.88 AGTR1 (0.58) AGTR1AGTR2AGTPPARG
SCHEMBL9851498 0.84 AGTR1 (0.60) AGTR1AGTR2AGTPPARG
SCHEMBL9851410 0.83 AGTR1 (0.64) AGTR1AGTR2AGTPPARG
SCHEMBL7297771 0.82 AGTR1 (0.57) AGTR1AGTR2AGTPPARG
SCHEMBL7308524 0.81 AGTR1 (0.58) AGTR1AGTR2AGTPPARG
SCHEMBL1262 0.81 AGTR1 (0.57) AGTR1AGTR2AGT
SCHEMBL7302497 0.81 AGTR1 (0.57) AGTR1AGTR2AGTPPARG
SCHEMBL7301471 0.81 AGTR1 (0.59) AGTR1AGTR2AGT
SCHEMBL9851472 0.80 AGTR1 (0.63) AGTR1AGTR2AGTPPARG
SCHEMBL14855469 0.80 AGTR1 (0.60) 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