SCHEMBL9704680

SCHEMBL9704680

CCCc1nc2ccc(N(CC(C)C)C(=O)NC3CCCCC3)nc2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.52
AGTR2 P50052 5/20 0.52
AGT P01019 2/20 0.47
PPARG P37231 1/20 0.37

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
SCHEMBL9704765 0.88 AGTR1 (0.51) AGTR1AGTR2AGTPPARG
SCHEMBL9704462 0.86 AGTR1 (0.52) AGTR1AGTR2AGTPPARG
SCHEMBL9704434 0.84 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9703957 0.81 AGTR1 (0.58) AGTR1AGTR2AGTPPARG
SCHEMBL9851446 0.80 AGTR1 (0.60) AGTR1AGTR2AGTPPARG
SCHEMBL9704647 0.79 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL8789456 0.79 AGTR1 (0.54) AGTR1AGTR2AGT
SCHEMBL9042242 0.78 AGTR1 (0.55) AGTR1AGTR2AGT
SCHEMBL8789118 0.78 AGT (0.50) AGTR1AGTR2AGT
SCHEMBL9851417 0.78 AGTR1 (0.63) 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-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed