SCHEMBL6921037

SCHEMBL6921037

CC[N+](C)(C)Oc1cn(C(=O)c2ccccc2Br)c2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.41
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.34
METTL3 Q86U44 1/20 0.34
METTL14 Q9HCE5 1/20 0.34
MGLL Q99685 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1C4 P17516 1/20 0.33
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 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
SCHEMBL6921379 0.92 HTR6 (0.38) HTR6KMT2AALDH1A1MAPTPOLB
SCHEMBL6919899 0.90 HTR6 (0.43) HTR6KMT2AALDH1A1MAPTPOLB
SCHEMBL6918823 0.85 AKR1C3 (0.43) HTR6KMT2AALDH1A1POLBKDM4E
SCHEMBL6821042 0.79 KDM4E (0.45) HTR6ALDH1A1KDM4EMETTL3METTL14
SCHEMBL7130815 0.77 ELANE (0.47) HTR6KMT2AALDH1A1POLBKDM4E
SCHEMBL6917237 0.76 HTR6 (0.39) HTR6ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL5767300 0.73 HTR6 (0.56) HTR6METTL3METTL14AKR1C3
SCHEMBL6919392 0.71 CHRNB2 (0.42) HTR6KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7063772 0.68 HTR7 (0.45) HTR6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6821035 0.66 HTR6 (0.52) HTR6KMT2AMEN1

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