SCHEMBL7067775

SCHEMBL7067775

CN(C)CCOc1c(-c2ccccc2)n(Cc2ccccc2Br)c2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.42
ESR1 P03372 1/20 0.39
HTR7 P34969 2/20 0.38
MAT2A P31153 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.36
ABCB1 P08183 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6817279 0.92 UTS2R (0.42) UTS2RESR1HTR7MAT2AKDM4E
SCHEMBL6822016 0.90 UTS2R (0.39) UTS2RESR1HTR7KDM4EALDH1A1
SCHEMBL6917019 0.88 ESR1 (0.48) ESR1HTR7MAT2AKDM4EALDH1A1
SCHEMBL6820218 0.87 UTS2R (0.44) UTS2RESR1HTR7KDM4EALDH1A1
SCHEMBL6820268 0.86 UTS2R (0.42) UTS2RESR1HTR7KDM4EALDH1A1
SCHEMBL6821103 0.80 ESR1 (0.50) ESR1ALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL6817304 0.79 ESR1 (0.43) ESR1HTR7KDM4ETDP1CYP1A2
SCHEMBL6824409 0.78 KDM4E (0.40) HTR7MAT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3555167 0.78 HTR6 (0.48) HTR7MAT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7154224 0.77 ESR1 (0.37) ESR1HTR7KDM4EALDH1A1SMN1; SMN2

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-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed