SCHEMBL9846041

SCHEMBL9846041

C=CCCc1nc(CCCC)nc(O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.41
AGTR2 P50052 1/20 0.40
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38

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
SCHEMBL9539561 0.92 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9846055 0.88 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9846125 0.85 AGTR1 (0.44) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9846014 0.83
SCHEMBL9846027 0.82 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9543200 0.82 PDE4A (0.39) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9846038 0.81 PPARG (0.41) AGTR1AGTR2
SCHEMBL9725027 0.80 AGTR1 (0.42) AGTR1
SCHEMBL9530014 0.79 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL9846079 0.79

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-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed