SCHEMBL9540804

SCHEMBL9540804

CCCCc1nc2ccnc(O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.51
AGTR2 P50052 6/20 0.51

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
SCHEMBL9313896 0.90 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7841529 0.88 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9443313 0.88 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9443118 0.85 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9443093 0.85 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9873526 0.85 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8972827 0.84 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9854217 0.84 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL7622112 0.83 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL9853668 0.83 AGTR1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399731-B1 Azaindenes ZENECA LTD (GB) 1993-12-08 EP claimed