SCHEMBL6823917

SCHEMBL6823917

CN(C)CCOc1cn(C(=O)c2ccccc2Br)c2c(Cl)cc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
UTS2R Q9UKP6 1/20 0.40
KDM4E B2RXH2 11/20 0.40
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
CSF1R P07333 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
NR4A2 P43354 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
SCHEMBL6820288 0.93 HTR7 (0.43) HTR7UTS2RKDM4EALDH1A1SMN1; SMN2
SCHEMBL6821042 0.85 KDM4E (0.45) HTR7UTS2RKDM4EALDH1A1SMN1; SMN2
SCHEMBL6920050 0.85 HTR7 (0.45) HTR7UTS2RKDM4EALDH1A1SMN1; SMN2
SCHEMBL5768071 0.83 HTR6 (0.43) HTR7ALDH1A1
SCHEMBL6820963 0.82 KDM4E (0.46) HTR7UTS2RKDM4EALDH1A1SMN1; SMN2
SCHEMBL3560720 0.81 MAPT (0.41) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6821026 0.80 KDM4E (0.41) HTR7UTS2RKDM4EALDH1A1SMN1; SMN2
SCHEMBL6922481 0.80 HTR7 (0.49) HTR7KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL7063772 0.79 HTR7 (0.45) HTR7UTS2RKDM4EALDH1A1SMN1; SMN2
SCHEMBL3557838 0.78 HTR7 (0.43) HTR7UTS2RKDM4EALDH1A1SMN1; 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 claimed