SCHEMBL1383201

SCHEMBL1383201

C=C(Cc1cc2ccccc2[nH]1)C(=O)NC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
NLRP3 Q96P20 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.45
GSK3B P49841 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
FLT3 P36888 1/20 0.41
IDO1 P14902 1/20 0.41
MAPT P10636 1/20 0.41
DAO P14920 1/20 0.41
HPGD P15428 1/20 0.41
SRD5A2 P31213 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3659732 0.83 MTNR1A (0.51) MTNR1AMTNR1BNLRP3LOXL2GSK3B
SCHEMBL17327742 0.82 NLRP3 (0.60) MTNR1AMTNR1BNLRP3LOXL2GSK3B
SCHEMBL3654751 0.82 LOXL2 (0.50) MTNR1AMTNR1BNLRP3LOXL2GSK3B
SCHEMBL1381253 0.81 LOXL2 (0.53) MTNR1AMTNR1BNLRP3LOXL2GSK3B
SCHEMBL3657832 0.78 MTNR1A (0.46) MTNR1AMTNR1BNLRP3LOXL2GSK3B
SCHEMBL31514826 0.77 LOXL2 (0.55) MTNR1AMTNR1BNLRP3LOXL2GSK3B
SCHEMBL3120573 0.77 MTNR1A (0.60) MTNR1AMTNR1BNLRP3LOXL2GSK3B
SCHEMBL3451201 0.76 LOXL2 (0.58) MTNR1AMTNR1BNLRP3LOXL2GSK3B
SCHEMBL8686875 0.76 MTNR1A (0.56) MTNR1AMTNR1BNLRP3LOXL2GSK3B
SCHEMBL49270 0.75 LOXL2 (0.56) MTNR1AMTNR1BNLRP3LOXL2GSK3B

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
JP-4803935-B2 2011-10-26 JP claimed