SCHEMBL6556670

SCHEMBL6556670

O=C1CN=CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.36
AGTR2 P50052 5/20 0.35
TBXA2R P21731 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL29383126 1.00 AGTR1 (0.36) AGTR1AGTR2TBXA2RPDE3A
SCHEMBL9533005 0.80 POLB (0.47) AGTR1AGTR2
SCHEMBL8543595 0.79 CASP3 (0.46)
SCHEMBL9532996 0.79 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL14464087 0.78 AGTR1 (0.43) AGTR1AGTR2PDE3A
SCHEMBL448437 0.76 POLB (0.55) AGTR1AGTR2TBXA2RPDE3A
SCHEMBL6962635 0.76 AKT1 (0.36) AGTR1AGTR2
SCHEMBL9533000 0.74 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL588365 0.74 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8700752 0.74 AGTR1 (0.49) AGTR1AGTR2PDE3A

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-1393722-A2 Use of angiotensin II subtype 1 (AT1) antagonists for the manufacture of a medicament in the treatment of premenstrual syndrome DePadova, Anthony S. (US) 2004-03-03 EP claimed