SCHEMBL4540376

SCHEMBL4540376

CCC1(O)CCCCC1c1ccccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
LIPE Q05469 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TRPM8 Q7Z2W7 4/20 0.38
TNKS2 Q9H2K2 1/20 0.37

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
SCHEMBL4543658 0.85 HTR1A (0.48) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL4984854 0.83 ALDH1A1 (0.41) SLC6A2SLC6A4MEN1KMT2AALDH1A1
SCHEMBL4685654 0.79 HCRTR2 (0.36) SLC6A4SLC6A3
SCHEMBL4989697 0.74 KDM1A (0.45) ALDH1A1MAOAMAOB
Hydrochloric Acid SCHEMBL27656059 0.73 KDM1A (0.46) MAOAMAOB
SCHEMBL4991857 0.72 GAA (0.46) KMT2AALDH1A1HTR2CHTR2BMAPK1
SCHEMBL4540371 0.71 MEN1 (0.42) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL10618931 0.70 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4543654 0.70 MEN1 (0.43) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL9277747 0.70 HTR2C (0.55) HTR1ASLC6A2SLC6A4SLC6A3MEN1

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
WO-2009084039-A2 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2009-07-09 WO claimed
WO-2009084039-A2 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2009-07-09 WO disclosed