SCHEMBL9846773

SCHEMBL9846773

CCCCc1nccn1Cc1ccc2c(c1)cc(-c1ccccc1[N+](=O)[O-])n2C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.45
AGTR2 P50052 2/20 0.45
NR1H2 P55055 10/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NR1H3 Q13133 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
SCHEMBL9846680 0.86 AGTR1 (0.49) AGTR1AGTR2NR1H2NR1H3
SCHEMBL9846769 0.79 NR1H2 (0.48) NR1H2NR1H3
SCHEMBL9846756 0.75 NR1H2 (0.48) NR1H2MAPTRAB9ANR1H3
SCHEMBL9846714 0.74 AGTR1 (0.47) AGTR1AGTR2HTTALDH1A1MAPT
SCHEMBL9846759 0.69 AGTR2 (0.51) AGTR1AGTR2
SCHEMBL9846782 0.68 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL2875418 0.67 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL27520457 0.65 AGTR1 (0.80) AGTR1AGTR2
SCHEMBL903507 0.64 NR1H2 (0.44) NR1H2ALDH1A1MAPTRAB9A
SCHEMBL10576800 0.64 AGTR1 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP disclosed