SCHEMBL6821037

SCHEMBL6821037

CN(C)CCOc1c(-c2ccccc2)n(C(=O)c2ccccc2)c2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
KDM4E B2RXH2 7/20 0.43
PTGS2 P35354 2/20 0.42
AGTR1 P30556 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
HTR6 P50406 1/20 0.37
SLC6A9 P48067 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAT2A P31153 1/20 0.37

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
SCHEMBL6919614 0.92 PTGS2 (0.46) ABCB1KDM4EPTGS2AGTR1GAA
SCHEMBL3563780 0.90 KDM4E (0.45) KDM4EGAAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6820242 0.88 KDM4E (0.45) ABCB1KDM4EPTGS2GAAMAPK1
SCHEMBL6820710 0.83 KDM4E (0.41) ABCB1KDM4EGAAMAPK1ALDH1A1
SCHEMBL6820229 0.82 ALDH1A1 (0.43) ABCB1KDM4EPTGS2AGTR1ALDH1A1
SCHEMBL3555919 0.81 KDM4E (0.45) KDM4EGAAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6817321 0.81 KDM4E (0.39) ABCB1KDM4EALDH1A1SMN1; SMN2CCNE2
SCHEMBL6821005 0.81 HTR6 (0.53) PTGS2HTR6MEN1KMT2A
SCHEMBL6820248 0.80 PTGS2 (0.47) ABCB1KDM4EPTGS2MEN1KMT2A
SCHEMBL6824409 0.80 KDM4E (0.40) ABCB1KDM4EPTGS2GAAMAPK1

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