SCHEMBL6664081

SCHEMBL6664081

Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3C3=NNN(C(C)(C)C)N3)cc1)C(=O)CC2

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.63
TBXA2R P21731 1/20 0.63
AGTR2 P50052 1/20 0.63
PDE3A Q14432 1/20 0.63

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
SCHEMBL6664086 0.84 AGTR1 (0.63) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL7020979 0.80 AGTR1 (0.65) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL7095882 0.79 AGTR1 (0.68) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL683804 0.77 AGTR1 (0.66) AGTR1TBXA2RAGTR2PDE3A
Tasosartan SCHEMBL49626 0.77 AGTR1 (0.71) AGTR1TBXA2RAGTR2PDE3A
Tasosartan SCHEMBL49627 0.77 AGTR1 (1.00) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL13714544 0.77 AGTR1 (0.68) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL683885 0.76 AGTR1 (0.65) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL7430153 0.74 AGTR1 (0.62) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL8600068 0.72 AGTR1 (0.54) AGTR1TBXA2RAGTR2PDE3A

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
EP-0981507-B1 PROCESS FOR THE REMOVAL OF HEAVY METALS ZAMBON SPA (IT) 2004-08-18 EP disclosed
US-6239301-B1 USING A CYSTEINE DERIVATIVE ZAMBON GROUP S.P.A. (IT) 2001-05-29 US disclosed