SCHEMBL7440898

SCHEMBL7440898

CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.41
AGTR2 P50052 3/20 0.41

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
SCHEMBL7440308 0.89 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7440984 0.83 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7435968 0.82 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7438197 0.81 PRKAB2 (0.36) AGTR1AGTR2
SCHEMBL9175218 0.80 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL7434203 0.80 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7447901 0.80 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7443465 0.79 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7433754 0.79 DPP4 (0.41) AGTR1AGTR2
SCHEMBL7444462 0.78 AGTR1 (0.34) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed