SCHEMBL16059019

SCHEMBL16059019

COCCN(CCOC)c1ccc(CCc2ccc(N(CCOC)CCOC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.42
ESRRG P62508 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
AOC3 Q16853 4/20 0.37
HRH3 Q9Y5N1 3/20 0.36
MEN1 O00255 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
SCHEMBL18562084 0.89 KMT2A (0.37) ALDH1A1LMNAMAPTTSHRMEN1
SCHEMBL23928227 0.89 TAAR1 (0.48) ALDH1A1TSHRNFKB1AOC3KMT2A
SCHEMBL20207410 0.83 ALDH1A1 (0.37) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL5789378 0.81 LTA4H (0.48) CALM1ALDH1A1LMNACYP2D6TSHR
SCHEMBL7794555 0.81 CYP2C19 (0.44) ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL23928216 0.81 AOC3 (0.48) ESRRGALDH1A1LMNATSHRAOC3
SCHEMBL23928110 0.79 ESRRG (0.52) ESRRGALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3956323 0.79 MEN1 (0.33) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL22082130 0.79 APP (0.37) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL10485681 0.79 USP8 (0.37) ALDH1A1LMNAMAPTTSHRSMN1; SMN2

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
EP-2970098-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS Pharmatrophix Inc. (US) 2016-01-20 EP disclosed
WO-2014144342-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. (US) 2014-09-18 WO disclosed