SCHEMBL6820229

SCHEMBL6820229

CN(C)CCOc1c(-c2ccccc2)n(C(=O)c2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
PTGS2 P35354 2/20 0.43
AGTR1 P30556 1/20 0.43
ELANE P08246 2/20 0.41
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR6 P50406 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
HTR7 P34969 1/20 0.38
TACR3 P29371 2/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3561464 0.90 ALDH1A1 (0.45) ALDH1A1KDM4ELMNACCNE2CCNE1
SCHEMBL6919614 0.88 PTGS2 (0.46) ALDH1A1KDM4EPTGS2AGTR1CCNE2
SCHEMBL6821172 0.88 ELANE (0.45) ALDH1A1KDM4ELMNAELANECCNE2
SCHEMBL6821005 0.87 HTR6 (0.53) LMNAPTGS2HTR6KMT2AMEN1
SCHEMBL6820673 0.85 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAAGTR1CCNE2
SCHEMBL6922117 0.85 ELANE (0.43) LMNAPTGS2AGTR1ELANEABCB1
SCHEMBL6821037 0.82 ABCB1 (0.43) ALDH1A1KDM4EPTGS2AGTR1CCNE2
SCHEMBL6824409 0.80 KDM4E (0.40) ALDH1A1KDM4ELMNAPTGS2CCNE2
SCHEMBL6821009 0.80 AGTR1 (0.46) ALDH1A1LMNAPTGS2AGTR1HTR6
SCHEMBL6817321 0.79 KDM4E (0.39) ALDH1A1KDM4ELMNACCNE2CCNE1

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