SCHEMBL9402017

SCHEMBL9402017

CCCc1nc2ccccc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.69
AGTR2 P50052 2/20 0.69
AGT P01019 2/20 0.63
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
PPARG P37231 1/20 0.47

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
SCHEMBL9402029 0.93 AGTR1 (0.59) AGTR1AGTR2AGTPDE4APDE4B
SCHEMBL9402014 0.88 AGTR1 (0.57) AGTR1AGTR2AGT
SCHEMBL9851487 0.87 AGTR1 (0.63) AGTR1AGTR2AGTPDE4APDE4B
SCHEMBL9311665 0.86 AGT (0.69) AGTR1AGTR2AGT
SCHEMBL9402064 0.86 AGTR1 (0.55) AGTR1AGTR2AGTPPARG
SCHEMBL9404590 0.85 AGT (0.69) AGTR1AGTR2AGT
SCHEMBL9295555 0.85 AGT (0.69) AGTR1AGTR2AGT
SCHEMBL9402043 0.85 AGTR1 (0.55) AGTR1AGTR2AGT
SCHEMBL9851417 0.85 AGTR1 (0.63) AGTR1AGTR2AGTPPARG
SCHEMBL9402070 0.85 AGTR1 (0.54) AGTR1AGTR2AGT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304565-A Angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US disclosed
EP-0445811-A2 Nitrogen-containing heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-09-11 EP disclosed