SCHEMBL7227263

SCHEMBL7227263

COc1cccc(OCCn2c3c(c4ccccc42)CCN(C(=O)O)CC3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
HTR6 P50406 6/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
HTR5A P47898 2/20 0.46
HRH1 P35367 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL6481529 0.88 HDAC1 (0.48) PKMKDM4EALDH1A1KMT2AHTR6
SCHEMBL6475174 0.83 HTR5A (0.50) KDM4EALDH1A1KMT2APTGDR2HTR5A
Maleic Acid SCHEMBL6480578 0.81 HTR6 (0.51) PKMKDM4EALDH1A1KMT2AHTR6
Fumaric Acid SCHEMBL6480586 0.81 HTR6 (0.51) PKMKDM4EALDH1A1KMT2AHTR6
SCHEMBL6475974 0.79 KCNA5 (0.43) KDM4EALDH1A1KMT2APTGDR2HTR5A
SCHEMBL6481873 0.79 PTGDR2 (0.48) KDM4EALDH1A1KMT2APTGDR2HSD17B10
SCHEMBL6476108 0.78 KDM4E (0.50) KDM4EALDH1A1KMT2APTGDR2HDAC1
SCHEMBL6480591 0.77 KDM4E (0.55) KDM4EALDH1A1KMT2APTGDR2HSD17B10
SCHEMBL7225632 0.77 KMT2A (0.52) KDM4EALDH1A1KMT2APTGDR2HDAC6
SCHEMBL5373029 0.77 ENPP2 (0.53) KDM4EALDH1A1PTGDR2HDAC1HDAC6

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
US-6583135-B2 Treating central nervous system disorders wherein modulation of the activity of serotonin receptors (5-HT) is desired (e.g. anxiety, depression and obesity). PHARMACIA & UPJOHN COMPANY 2003-06-24 US disclosed