SCHEMBL9704645

SCHEMBL9704645

CCc1nc2ccc(NCCC(=O)C3CCCCC3)nc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
AGTR1 P30556 2/20 0.38
AGTR2 P50052 2/20 0.38

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
SCHEMBL9705267 0.94 PPARG (0.42) ENPP2AGTR1AGTR2
SCHEMBL9703999 0.93 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9705139 0.92 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9704667 0.90 AGTR1 (0.43) ENPP2AGTR1AGTR2
SCHEMBL9704671 0.86 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9704740 0.85 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9704653 0.84 AGTR1 (0.46) ENPP2AGTR1AGTR2
SCHEMBL9704336 0.83 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9705886 0.83 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9704807 0.81 AGTR1 (0.47) 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-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed