SCHEMBL6820985

SCHEMBL6820985

COc1ccc2c(c1)c(OCCN(C)C)c(C)n2Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
PLA2G2A P14555 13/20 0.56
PLA2G1B P04054 1/20 0.55
HTR6 P50406 2/20 0.53
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
RAD52 P43351 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL6922144 0.87 ESR1 (0.51) KMT2ATSHRMAPK1PLA2G2APLA2G1B
SCHEMBL6821061 0.86 TDP1 (0.53) KMT2ATSHRMAPK1PLA2G2ATDP1
SCHEMBL6821006 0.85 TDP1 (0.52) KMT2ATSHRMAPK1PLA2G2ATDP1
SCHEMBL6820735 0.85 PLA2G2A (0.46) KMT2ATSHRMAPK1PLA2G2APLA2G1B
SCHEMBL6817497 0.85 TDP1 (0.52) KMT2AMAPK1PLA2G2AHTR6TDP1
SCHEMBL6817320 0.80 TDP1 (0.47) KMT2APLA2G2AHTR6TDP1MEN1
SCHEMBL6821103 0.79 ESR1 (0.50) KMT2APLA2G2AHTR6TDP1MAPT
SCHEMBL3560763 0.78 HTR6 (0.72) HTR6
SCHEMBL6817298 0.78 LMNA (0.61) KMT2ATSHRPLA2G2AHTR6MEN1
SCHEMBL6821057 0.76 HTR6 (0.69) PLA2G2AHTR6ALDH1A1

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