SCHEMBL8037878

SCHEMBL8037878

CCc1cc2c(OC)cc(C(=O)OC)cc2n1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.55
MTNR1B P49286 4/20 0.55
MAPT P10636 4/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PLA2G2A P14555 3/20 0.42
S1PR3 Q99500 1/20 0.42
CNR2 P34972 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
SCHEMBL8033888 0.90 HPGD (0.49) MTNR1AMTNR1BMAPTTHRBALDH1A1
SCHEMBL8023979 0.88 MTNR1A (0.46) MTNR1AMTNR1BMAPTTHRBALDH1A1
SCHEMBL8034000 0.87 LMNA (0.50) MTNR1AMTNR1BMAPTTHRBALDH1A1
SCHEMBL26473 0.78 MTNR1B (0.67) MTNR1AMTNR1BMAPTPLA2G2A
SCHEMBL5882106 0.74 MTNR1A (0.49) MTNR1AMTNR1BMAPTTP53
SCHEMBL25136 0.74 MTNR1B (0.60) MTNR1AMTNR1BMAPTKDM4EPLA2G2A
SCHEMBL28039679 0.73 HDAC6 (0.56) MAPTTHRBALDH1A1GAAPKM
SCHEMBL6775247 0.71 CCR2 (0.65) MTNR1AMTNR1BMAPTTHRBALDH1A1
SCHEMBL8502661 0.71 MTNR1A (0.53) MTNR1AMTNR1BMAPTALDH1A1GAA
SCHEMBL6771136 0.70 MTNR1B (0.70) MTNR1AMTNR1BMAPTTP53KDM4E

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
EP-0987250-A1 INDOLE DICARBOXYLIC ACID DERIVATIVES SHIONOGI & CO., LTD. (JP) 2000-03-22 EP disclosed