SCHEMBL9851420

SCHEMBL9851420

CCc1nc2ncccc2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.55
AGTR2 P50052 4/20 0.55
AGT P01019 2/20 0.44
EDNRA P25101 1/20 0.38
BRD4 O60885 1/20 0.37
RAB9A P51151 1/20 0.37
P2RX7 Q99572 1/20 0.37
PPARG P37231 2/20 0.36

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
SCHEMBL9851410 0.93 AGTR1 (0.64) AGTR1AGTR2AGTPPARG
SCHEMBL9851445 0.90 AGTR1 (0.53) AGTR1AGTR2AGTEDNRABRD4
SCHEMBL9851481 0.86 AGTR1 (0.54) AGTR1AGTR2AGTBRD4
SCHEMBL9851520 0.82 AGTR1 (0.57) AGTR1AGTR2AGT
SCHEMBL9851472 0.81 AGTR1 (0.63) AGTR1AGTR2AGTPPARG
SCHEMBL9402029 0.80 AGTR1 (0.59) AGTR1AGTR2AGTRAB9A
SCHEMBL9851487 0.80 AGTR1 (0.63) AGTR1AGTR2AGTPPARG
SCHEMBL9851456 0.80 AGTR1 (0.52) AGTR1AGTR2AGTBRD4P2RX7
SCHEMBL9851514 0.79 AGTR1 (0.60) AGTR1AGTR2AGTPPARG
SCHEMBL8392437 0.79 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