SCHEMBL7301338

SCHEMBL7301338

Cc1cc(C)c2nc(C3CC3)n(Cc3ccc(Br)nc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.49
AGTR2 P50052 1/20 0.42
TRPV6 Q9H1D0 1/20 0.38
GPR4 P46093 4/20 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
SCHEMBL21083686 0.81 GPR4 (0.53) GPR4
SCHEMBL242856 0.78 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL4329804 0.75 GPR4 (0.52) AGTR1AGTR2GPR4
SCHEMBL4329809 0.75 GPR4 (0.52) AGTR1AGTR2GPR4
SCHEMBL7422797 0.75 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7298948 0.75 AGTR1 (0.49) AGTR1AGTR2GPR4
Potassium SCHEMBL8826225 0.74 AGTR1 (0.49) AGTR1AGTR2GPR4
SCHEMBL8826204 0.74 AGTR1 (0.49) AGTR1AGTR2GPR4
SCHEMBL7842068 0.73
SCHEMBL7300425 0.73 AGTR1 (0.44) AGTR1AGTR2GPR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594010-A TREATMENT OF HYPERTENSION AND ATHERIOSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed
EP-0630896-A1 Substituted mono- and bipyridylmethyl derivatives as angiotensin II antagonist BAYER AG (DE) 1994-12-28 EP disclosed