SCHEMBL7130815

SCHEMBL7130815

CC[N+](C)(C)Oc1cn(C(=O)c2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.47
DYRK1A Q13627 1/20 0.46
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
HTR6 P50406 2/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
HTR7 P34969 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
PLA2G4A P47712 1/20 0.37
LTB4R Q15722 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
TSPO P30536 1/20 0.36

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
SCHEMBL6919899 0.87 HTR6 (0.43) ELANEDYRK1AKMT2AALDH1A1HTR6
SCHEMBL6918823 0.87 AKR1C3 (0.43) ELANEKDM4EKMT2AALDH1A1THRB
SCHEMBL7130820 0.78 DYRK1A (0.49) ELANEDYRK1AKDM4EKMT2AALDH1A1
SCHEMBL6820240 0.77 HTR6 (0.52) ELANEDYRK1AKDM4EKMT2AALDH1A1
SCHEMBL6921037 0.77 HTR6 (0.41) KDM4EKMT2AALDH1A1HTR6HPGD
SCHEMBL6922115 0.75 ELANE (0.44) ELANENPSR1TSHRTSPO
SCHEMBL7124751 0.72 HTR6 (0.41) ALDH1A1HTR6TSHR
SCHEMBL6972524 0.70 HTR6 (0.77) ELANEDYRK1AHTR6HTR1AHTR1D
SCHEMBL6921379 0.70 HTR6 (0.38) KMT2AALDH1A1HTR6NPSR1TSHR
SCHEMBL6968868 0.67 HTR6 (0.50) ELANEDYRK1AKMT2AALDH1A1HTR6

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