SCHEMBL9854477

SCHEMBL9854477

c1ccc(-c2nnn[nH]2)c(-c2ccc(Cn3c(C4CCCCC4)nc4cccnc43)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.45
AGTR2 P50052 4/20 0.45
RXFP1 Q9HBX9 4/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.39
TLR7 Q9NYK1 1/20 0.38
ENPP2 Q13822 1/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM1 P11229 1/20 0.37
HRH1 P35367 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
SCHEMBL9873687 0.84 AGTR1 (0.43) AGTR1AGTR2ALDH1A1LMNATLR7
Ammonia Solution, Strong SCHEMBL8972320 0.83 AGTR1 (0.60) AGTR1AGTR2NOS1NOS2TLR7
SCHEMBL9260124 0.83 AGTR1 (0.49) AGTR1AGTR2GAAALDH1A1CHRM1
SCHEMBL9851478 0.82 AGTR1 (0.52) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL8972215 0.82 AGTR1 (0.60) AGTR1AGTR2NOS1NOS2TLR7
SCHEMBL9854484 0.81 AGTR1 (0.49) AGTR1AGTR2ALDH1A1HPGDLMNA
SCHEMBL8972068 0.81 AGTR1 (0.60) AGTR1AGTR2LMNATP53POLB
SCHEMBL8972044 0.80 AGTR1 (0.65) AGTR1AGTR2NOS1NOS2
SCHEMBL9874430 0.80 AGTR1 (0.44) AGTR1AGTR2ALDH1A1LMNATLR7
SCHEMBL9873722 0.80 AGTR1 (0.44) AGTR1AGTR2ALDH1A1LMNATLR7

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-0426021-A1 Condensed imidazole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-08 EP disclosed