SCHEMBL10349809

SCHEMBL10349809

COc1ccc2cc(C(O)(CCN(C)C)C(C)(C)C)ccc2c1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
AOC3 Q16853 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL117975 0.84 ALDH1A1 (0.46) ALDH1A1AOC3HTR2A
SCHEMBL354856 0.84 ALDH1A1 (0.46) ALDH1A1AOC3HTR2A
Hydrochloric Acid SCHEMBL7676029 0.83 SMN1; SMN2 (0.45) ALDH1A1AOC3HTR2A
Hydrochloric Acid SCHEMBL7676026 0.83 SMN1; SMN2 (0.45) ALDH1A1AOC3HTR2A
SCHEMBL9420901 0.73 CYP1A2 (0.52) AOC3KDM4E
SCHEMBL14762264 0.73 ALDH1A1 (0.48) ALDH1A1AOC3KDM4E
SCHEMBL11873682 0.71 AOC3 (0.40) ALDH1A1AOC3
SCHEMBL14761903 0.70 CNR1 (0.41) ALDH1A1AOC3
SCHEMBL2627140 0.69 CYP2A6 (0.56) ALDH1A1KDM4EHSD17B10
Iodomethane SCHEMBL11880366 0.69 AOC3 (0.39) ALDH1A1AOC3

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-0176049-B1 AMINOALKYLNAPHTALENE DERIVATIVES HAVING PHARMACOLOGICAL ACTIVITIES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1990-06-13 EP disclosed