SCHEMBL6830686

SCHEMBL6830686

COc1ccc2c(c1)c(Cl)c(C(=O)N1CCN(C)CC1)n2S(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.66
CYP3A4 P08684 4/20 0.54
CYP2D6 P10635 4/20 0.54
HTR2A P28223 1/20 0.54
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TP53 P04637 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
IDO1 P14902 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
SCHEMBL6826369 0.93 HTR6 (0.55) HTR6CYP3A4CYP2D6HTR2AKMT2A
SCHEMBL7068535 0.82 HTR6 (0.54) HTR6CYP3A4CYP2D6HTR2AKMT2A
SCHEMBL6920527 0.73 HTR6 (0.68) HTR6CYP3A4CYP2D6HTR2AALDH1A1
SCHEMBL6830116 0.73 KDM4E (0.51) HTR6KMT2AKDM4EMEN1ALDH1A1
SCHEMBL6925689 0.73 SLC2A1 (0.48) HTR6CYP3A4CYP2D6HTR2AKMT2A
SCHEMBL6925801 0.72 KDM4E (0.48) HTR6CYP3A4CYP2D6HTR2AKMT2A
SCHEMBL947846 0.70 HTR6 (1.00) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL29646236 0.70 HTR6 (1.00) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL6924887 0.70 ALOX5 (0.52) HTR6CYP3A4CYP2D6KMT2AMEN1
SCHEMBL6826373 0.70 HRH3 (0.58) HTR6CYP3A4CYP2D6KMT2AKDM4E

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-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 WO claimed
WO-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 WO disclosed