SCHEMBL9709764

SCHEMBL9709764

C=CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 4/20 0.40
AGTR1 P30556 10/20 0.39
AGTR2 P50052 10/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
NCF1 P14598 1/20 0.37

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
SCHEMBL9710180 0.89 ACP1 (0.41) ACP1AGTR1AGTR2PDE4APDE4B
SCHEMBL9710183 0.89 ACP1 (0.41) ACP1AGTR1AGTR2PDE4APDE4B
SCHEMBL9709757 0.88 AGTR1 (0.52) ACP1AGTR1AGTR2PDE4APDE4B
SCHEMBL9709738 0.88 AGTR1 (0.37) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709673 0.86 PDE4A (0.47) ACP1AGTR1AGTR2PDE4APDE4B
SCHEMBL9709682 0.86 ACP1 (0.41) ACP1AGTR1AGTR2PDE4APDE4B
SCHEMBL9709710 0.85 PDE4A (0.51) ACP1AGTR1AGTR2PDE4APDE4B
SCHEMBL9709839 0.84 ACP1 (0.41) ACP1AGTR1AGTR2PDE4APDE4B
SCHEMBL3058746 0.84 AGTR1 (0.50) ACP1AGTR1AGTR2PDE4APDE4B
SCHEMBL9709845 0.81 ACP1 (0.42) ACP1AGTR1AGTR2PDE4APDE4B

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
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO claimed
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed