SCHEMBL6820693

SCHEMBL6820693

Cc1c(OCCN(C)C)c2cc(Cl)cc(Cl)c2n1Cc1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.46
HTR7 P34969 1/20 0.39
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CSF1R P07333 1/20 0.32

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
SCHEMBL6820282 0.86 TDP1 (0.42) KDM4ETDP1MAPTALDH1A1PTGDR2
SCHEMBL6821088 0.85 NPSR1 (0.35) UTS2RMAPTALDH1A1NPSR1PTGDR2
SCHEMBL6820218 0.84 UTS2R (0.44) UTS2RHTR7TAAR1KDM4ETDP1
SCHEMBL6823545 0.84 UTS2R (0.41) UTS2RHTR7TAAR1KDM4EMAPT
SCHEMBL6820713 0.82 TDP1 (0.41) HTR7KDM4ETDP1MAPTALDH1A1
SCHEMBL6820268 0.80 UTS2R (0.42) UTS2RHTR7TAAR1KDM4EMAPT
SCHEMBL6820722 0.78 UTS2R (0.52) UTS2RHTR7TAAR1KDM4EMAPT
SCHEMBL6821026 0.78 KDM4E (0.41) UTS2RHTR7KDM4ETDP1MAPT
SCHEMBL6821067 0.78 NPSR1 (0.33) MAPTALDH1A1NPSR1
SCHEMBL3562582 0.77 HTR6 (0.39) UTS2RHTR7KDM4ETDP1MAPT

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