SCHEMBL7444891

SCHEMBL7444891

CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2c(C(=O)O)cnc2n1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.41
AGTR2 P50052 13/20 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
SCHEMBL7442549 0.93 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7440866 0.92 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7438511 0.91 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7440524 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7433668 0.88 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7427127 0.87 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7442791 0.85 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7429897 0.85 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7446450 0.84 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7435005 0.83 AGTR1 (0.44) 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 5 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-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602136-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
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed