SCHEMBL6831444

SCHEMBL6831444

Cc1ccc(CO)c(CCN(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.39
TAAR1 Q96RJ0 4/20 0.39
HTR2A P28223 4/20 0.38
HTR2C P28335 3/20 0.38
HTR1A P08908 2/20 0.38
HTR2B P41595 2/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A4 P31645 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL7059150 0.82 HTR1A (0.41) HTR6TAAR1HTR2AHTR2CHTR1A
SCHEMBL30150898 0.80 AMY1A (0.43) TAAR1HTTCYP1A2
SCHEMBL233241 0.80 AMY1A (0.43) TAAR1HTTCYP1A2
SCHEMBL10949866 0.79 AMY1A (0.52) HTR6TAAR1HTR2AHTR2CHTR1A
SCHEMBL24124009 0.79 PYCR1 (0.47) HTR6TAAR1HTTSMN1; SMN2CYP1A2
SCHEMBL7057925 0.78 SIGMAR1 (0.45) HTR6TAAR1SMN1; SMN2CYP2D6CYP2C19
SCHEMBL6826542 0.77 HTR2A (0.54) HTR6HTR2AHTR2CHTR1AHTR2B
SCHEMBL10411876 0.76 TAAR1 (0.40) HTR6TAAR1HTR2AHTR2CHTR1A
SCHEMBL24691168 0.74 TAAR1 (0.40) TAAR1HTTSLC6A4PSEN1PSEN2
SCHEMBL12509537 0.74 AMY1A (0.39) TAAR1HTTPSEN1PSEN2APH1B

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
WO-2004043921-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-ARYL-3-HYDROXYMETHYL-1-METHYLPIPERIDINES. NATCO PHARMA LIMITED (IN) 2004-05-27 WO disclosed