SCHEMBL10693760

SCHEMBL10693760

CN(C)CCCOc1c2ccc(Br)cc2cc2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NCEH1 Q6PIU2 1/20 0.38
CXCR1 P25024 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A4 P31645 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FERMT2 Q96AC1 1/20 0.36

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
SCHEMBL10688835 0.88 KDM4E (0.40) KDM4ELMNAALDH1A1TDP1CYP2D6
SCHEMBL10693121 0.86 NCEH1 (0.33) LMNANCEH1MAPT
SCHEMBL10696116 0.85 CHEK1 (0.37) KDM4EALDH1A1NCEH1CYP1A2CYP2D6
SCHEMBL10690312 0.81 HTR1B (0.51) KDM4ELMNATDP1CYP1A2CYP2D6
SCHEMBL10692528 0.79 MAPT (0.49) HRH3KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL10688285 0.74 RAB9A (0.44) LMNAALDH1A1TDP1MAPTMEN1
SCHEMBL10694848 0.72 HTR1B (0.61) HRH3KDM4ELMNAALDH1A1TDP1
SCHEMBL10693816 0.70 HTR1B (0.51) HRH3LMNATDP1CYP1A2CYP2D6
SCHEMBL23089914 0.70 KCNH2 (0.46) LMNAALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL29371892 0.70 KCNH2 (0.46) LMNAALDH1A1TDP1CYP1A2CYP2D6

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
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