SCHEMBL9851500

SCHEMBL9851500

CCc1nc2ncccc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.43
AGTR2 P50052 8/20 0.43
RAB9A P51151 1/20 0.40
EDNRA P25101 1/20 0.39

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
SCHEMBL8972048 0.92 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9853663 0.91 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9851505 0.88 AGTR1 (0.41) AGTR1AGTR2RAB9AEDNRA
SCHEMBL8972068 0.85 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL7309114 0.82 PPARG (0.43) AGTR1AGTR2
SCHEMBL9853659 0.80 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9844120 0.80 PDE4A (0.65) AGTR1AGTR2
SCHEMBL9851461 0.80 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8567083 0.80 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9851484 0.80 AGTR1 (0.56) 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 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