SCHEMBL29610288

SCHEMBL29610288

OC(CCO[C@H](CCOc1cccc2ccccc12)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.47
HTR1B P28222 9/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A4 P31645 2/20 0.45
SLC6A2 P23975 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
NR2E1 Q9Y466 3/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR1D P28221 3/20 0.43
HRH1 P35367 1/20 0.42

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
SCHEMBL28373895 1.00 KCNA3 (0.47) KCNA3HTR1BKMT2ASLC6A4SLC6A2
SCHEMBL28373893 1.00 KCNA3 (0.47) KCNA3HTR1BKMT2ASLC6A4SLC6A2
SCHEMBL30600099 0.91 KCNA3 (0.55) KCNA3HTR1BKMT2ASLC6A4KDM4E
SCHEMBL6675385 0.91 KCNA3 (0.55) KCNA3HTR1BKMT2ASLC6A4KDM4E
SCHEMBL29376893 0.91 KCNA3 (0.55) KCNA3HTR1BKMT2ASLC6A4KDM4E
SCHEMBL9291677 0.91 KCNA3 (0.55) KCNA3HTR1BKMT2ASLC6A4KDM4E
SCHEMBL30600096 0.91 KCNA3 (0.55) KCNA3HTR1BKMT2ASLC6A4KDM4E
SCHEMBL6678503 0.91 KCNA3 (0.55) KCNA3HTR1BKMT2ASLC6A4KDM4E
SCHEMBL29609193 0.81 HTR1B (0.49) KCNA3HTR1BKMT2ASLC6A4SLC6A2
SCHEMBL28369921 0.81 HTR1B (0.49) KCNA3HTR1BKMT2ASLC6A4SLC6A2

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
CN-110937984-B Dapoxetine hydrochloride related substance, preparation method and application thereof 苏州科伦药物研究有限公司 2022-05-03 CN disclosed