SCHEMBL5378982

SCHEMBL5378982

COc1ccc2[nH]c(CSF)c(CN3CCN(C)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
HSD17B10 Q99714 5/20 0.49
ALDH1A1 P00352 5/20 0.49
ALOX15 P16050 2/20 0.49
MTNR1A P48039 5/20 0.47
MTNR1B P49286 5/20 0.47
HTR6 P50406 4/20 0.45
HPGD P15428 1/20 0.45
CFTR P13569 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
HTR1A P08908 2/20 0.41
HTR1D P28221 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41
HTR7 P34969 1/20 0.41
HTR5A P47898 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL5369909 0.89 KDM4E (0.49) KDM4EHSD17B10ALDH1A1ALOX15MTNR1A
SCHEMBL5371635 0.89 KDM4E (0.49) KDM4EHSD17B10ALDH1A1ALOX15MTNR1A
SCHEMBL5329102 0.85 KDM4E (0.46) KDM4EHSD17B10ALDH1A1ALOX15MTNR1A
SCHEMBL5370125 0.85 MPO (0.53) KDM4EHSD17B10ALDH1A1HTR6HPGD
SCHEMBL5333912 0.84 KDM4E (0.48) KDM4EHSD17B10ALDH1A1ALOX15MTNR1A
SCHEMBL5367989 0.84 ALDH1A1 (0.46) KDM4EHSD17B10ALDH1A1ALOX15HTR6
SCHEMBL5371789 0.84 HSD17B10 (0.46) KDM4EHSD17B10ALDH1A1HTR6HRH4
SCHEMBL6925863 0.80 KDM4E (0.51) KDM4EHSD17B10ALDH1A1ALOX15MTNR1A
SCHEMBL5370003 0.75 MPO (0.52) KDM4EALDH1A1HPGDHTR1A
SCHEMBL1429039 0.75 AHR (0.49) KDM4EHSD17B10ALDH1A1ALOX15MTNR1A

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-2007046112-A1 ARYLTHIOETHER TRYPTAMINE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES INC. (IN) 2007-04-26 WO disclosed