SCHEMBL1960980

SCHEMBL1960980

NCC(=O)OCc1cc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
MAPK1 P28482 3/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
NLRP3 Q96P20 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
FLT3 P36888 2/20 0.44
HSD17B10 Q99714 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
DAO P14920 1/20 0.42
HPGD P15428 1/20 0.42
SRD5A2 P31213 1/20 0.42
OPRK1 P41145 1/20 0.42
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40

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
SCHEMBL11623314 0.81 MTNR1A (0.56) LOXL2MAPK1MTNR1AMTNR1BKDM4E
SCHEMBL4433221 0.78 MTNR1A (0.49) LOXL2MAPK1MTNR1AMTNR1BKDM4E
SCHEMBL16866618 0.77 MTNR1A (0.51) LOXL2MAPK1MTNR1AMTNR1BKDM4E
SCHEMBL4384511 0.75 LOXL2 (0.63) LOXL2MAPK1MTNR1AMTNR1BKDM4E
SCHEMBL11186816 0.75 PAM (0.53) LOXL2MAPK1MTNR1AMTNR1BKDM4E
SCHEMBL24305809 0.73 MTNR1A (0.43) LOXL2MAPK1MTNR1AMTNR1BKDM4E
SCHEMBL11856052 0.73 LOXL2 (0.56) LOXL2MAPK1MTNR1AMTNR1BKDM4E
SCHEMBL170083 0.73 HSD17B10 (0.56) LOXL2MAPK1MTNR1AMTNR1BKDM4E
2-Indolylmethanamine SCHEMBL1616223 0.73 LOXL2 (1.00) LOXL2MAPK1MTNR1AMTNR1BKDM4E
2-Indolylmethanamine SCHEMBL29738289 0.73 LOXL2 (1.00) LOXL2MAPK1MTNR1AMTNR1BKDM4E

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-2011066869-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2011-06-09 WO disclosed