SCHEMBL7129939

SCHEMBL7129939

CCN(C)COc1c(-c2ccccc2)n(Cc2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.40
PLA2G2A P14555 1/20 0.39
MAPK8 P45983 2/20 0.39
CFTR P13569 2/20 0.38
NPC1 O15118 1/20 0.37
KMT2A Q03164 4/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6920639 0.87 PLA2G2A (0.47) TSPOPLA2G2ANPC1KMT2ALMNA
SCHEMBL6918967 0.87 CYP19A1 (0.44) NPC1KMT2AHTTSMN1; SMN2MAPK1
SCHEMBL6922117 0.78 ELANE (0.43) TSPOPLA2G2ALMNAHIF1ATSHR
SCHEMBL7129936 0.78 PLA2G2A (0.41) TSPOPLA2G2AMAPK8CFTRNPC1
SCHEMBL3855156 0.75 GRIK2 (0.50) PLA2G2AMAPK8CFTRNPC1KMT2A
SCHEMBL6922123 0.75 MAPT (0.41) PLA2G2AKMT2ALMNATSHRMAPK1
SCHEMBL6822016 0.73 UTS2R (0.39) MAPK8KMT2ALMNAHTTSMN1; SMN2
SCHEMBL6920117 0.73 CA12 (0.48) TSPOPLA2G2AMAPK8CFTRNPC1
SCHEMBL3853087 0.72 PLA2G2A (0.49) PLA2G2AMAPK8CFTRNPC1KMT2A
SCHEMBL6917019 0.72 ESR1 (0.48) KMT2AMEN1ALDH1A1MAPTTDP1

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