SCHEMBL9847832

SCHEMBL9847832

CCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.60
AGTR2 P50052 5/20 0.60
LMNA P02545 2/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ENPP2 Q13822 3/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL9851416 0.95 AGTR1 (0.61) AGTR1AGTR2LMNAENPP2
SCHEMBL8972057 0.90 AGTR1 (0.71) AGTR1AGTR2LMNAPDE4APDE4B
SCHEMBL8972687 0.90 AGTR1 (0.61) AGTR1AGTR2LMNAENPP2TP53
SCHEMBL9638103 0.87 PPARG (0.53) AGTR1AGTR2LMNA
SCHEMBL9425035 0.87 AGTR1 (0.55) AGTR1AGTR2LMNAPDE4APDE4B
SCHEMBL8972204 0.86 AGTR1 (0.59) AGTR1AGTR2LMNAENPP2TP53
SCHEMBL9847782 0.86 AGTR2 (0.61) AGTR1AGTR2
SCHEMBL29486817 0.85 AGTR1 (0.72) AGTR1AGTR2ENPP2
SCHEMBL7622112 0.85 AGTR1 (0.72) AGTR1AGTR2ENPP2
SCHEMBL8972529 0.84 AGTR1 (0.62) AGTR1AGTR2ENPP2

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-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP claimed