SCHEMBL10691850

SCHEMBL10691850

Cc1cccc2cc3cccc(C)c3c(OCCCCCCCCCCCCN3CCCC3)c12

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
CYP2D6 P10635 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
KMT2A Q03164 1/20 0.56
HRH3 Q9Y5N1 9/20 0.53
GAA P10253 1/20 0.53
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
HTR6 P50406 2/20 0.52
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 1/20 0.50

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
SCHEMBL10694997 0.78 KDM4E (0.40) ALDH1A1MEN1CYP1A2KMT2AGAA
SCHEMBL10688459 0.78 HRH3 (0.64) ALDH1A1CYP2D6MEN1CYP1A2KMT2A
SCHEMBL10693012 0.76 HTR1B (0.42) ALDH1A1CYP2D6MEN1CYP1A2KMT2A
SCHEMBL10695028 0.75 HRH3 (0.64) ALDH1A1CYP2D6MEN1CYP1A2KMT2A
SCHEMBL22627295 0.75 ALDH1A1 (0.76) ALDH1A1CYP2D6MEN1CYP1A2KMT2A
SCHEMBL10694048 0.74 HPGD (0.51) ALDH1A1CYP2D6CYP1A2KMT2ACYP2C19
SCHEMBL22610054 0.73 CYP2D6 (0.85) ALDH1A1CYP2D6MEN1CYP1A2KMT2A
SCHEMBL10690950 0.73 HTR1B (0.50) ALDH1A1CYP2D6MEN1CYP1A2KMT2A
SCHEMBL24163014 0.73 L3MBTL1 (0.71) ALDH1A1CYP2D6MEN1CYP1A2KMT2A
SCHEMBL24163023 0.72 HRH3 (0.58) ALDH1A1MEN1KMT2AHRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4792551-A 9-anthryloxyaminoalkanes and related compounds as anti-inflammatory and analgetic agents SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0132351-A2 9-Anthryloxyaminoalkanes and related compounds, processes for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-01-30 EP disclosed