SCHEMBL9705997

SCHEMBL9705997

CCCCc1nc2nc(OCC)ncc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.51
AGTR2 P50052 3/20 0.51
PPARG P37231 3/20 0.48

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
SCHEMBL9704081 0.93 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9705125 0.92 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9705996 0.88 AGTR1 (0.67) AGTR1AGTR2PPARG
SCHEMBL9704879 0.87 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL9704774 0.86 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9704762 0.84 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9704625 0.83 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9041377 0.82 AGTR1 (0.74) AGTR1AGTR2PPARG
SCHEMBL9704076 0.81 AGTR1 (0.67) AGTR1AGTR2PPARG
SCHEMBL9705301 0.80 AGTR1 (0.60) AGTR1AGTR2PPARG

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