SCHEMBL9851484

SCHEMBL9851484

CCCCc1nc2nccnc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.56
AGTR2 P50052 8/20 0.56
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
GP6 Q9HCN6 1/20 0.46

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
SCHEMBL9853663 0.90 AGTR1 (0.54) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL7622112 0.89 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL29486817 0.89 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL9844120 0.88 PDE4A (0.65) AGTR1AGTR2PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7841670 0.88 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL9539315 0.87 AGTR1 (0.53) AGTR1AGTR2GP6
SCHEMBL8161625 0.87 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9853659 0.87 AGTR1 (0.51) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL8971992 0.87 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9312828 0.86 AGTR1 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP claimed
EP-0434038-A1 Fused imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-26 EP disclosed
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed