SCHEMBL7388992

SCHEMBL7388992

CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cscc2-c2nnn[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.59
AGTR1 P30556 3/20 0.59
GPR4 P46093 1/20 0.50

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
L-158809 SCHEMBL683357 0.89 AGTR2 (0.71) AGTR2AGTR1GPR4
L-158809 SCHEMBL7944169 0.88 AGTR2 (0.70) AGTR2AGTR1GPR4
SCHEMBL7383023 0.88 AGTR2 (0.46) AGTR2AGTR1
SCHEMBL7384188 0.86 AGTR2 (0.44) AGTR2AGTR1
SCHEMBL7386457 0.86 AGTR2 (0.73) AGTR2AGTR1GPR4
SCHEMBL9657133 0.86 AGTR2 (0.59) AGTR2AGTR1GPR4
SCHEMBL9655735 0.86 AGTR2 (0.57) AGTR2AGTR1
SCHEMBL7382796 0.85 AGTR2 (0.56) AGTR2AGTR1GPR4
SCHEMBL8829242 0.84 AGTR2 (0.55) AGTR2AGTR1GPR4
SCHEMBL9043170 0.84 AGTR2 (0.55) AGTR2AGTR1GPR4

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-5177074-A Heterocyclic nitrogen compounds used to treat hypertension, cognitive dysfunction, anxiety or depression MERCK & CO., INC. (US) 1993-01-05 US disclosed
EP-0513979-A1 Angiotensin II antagonists incorporating a substituted thiophene or furan MERCK & CO. INC. (US) 1992-11-19 EP disclosed