SCHEMBL8206907

SCHEMBL8206907

CCC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.CCCC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.73
SIRT2 Q8IXJ6 1/20 0.68
LTA4H P09960 4/20 0.67
PLA2G2A P14555 4/20 0.67
POLB P06746 1/20 0.63
MTNR1A P48039 5/20 0.62
MTNR1B P49286 5/20 0.62
HTR1D P28221 2/20 0.60

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
SCHEMBL7731853 0.97 TRPM8 (0.77) TRPM8SIRT2LTA4HPLA2G2APOLB
SCHEMBL7723651 0.96 TRPM8 (0.78) TRPM8SIRT2LTA4HPLA2G2APOLB
SCHEMBL19051463 0.87 TRPM8 (0.68) TRPM8SIRT2LTA4HPLA2G2APOLB
SCHEMBL6923780 0.86 MTNR1A (0.82) TRPM8SIRT2LTA4HPLA2G2APOLB
SCHEMBL17949536 0.85 MTNR1A (0.69) TRPM8MTNR1AMTNR1BHTR1D
SCHEMBL17040352 0.84 SIRT2 (0.78) TRPM8SIRT2LTA4HPLA2G2APOLB
SCHEMBL18222539 0.84 TRPM8 (0.75) TRPM8SIRT2LTA4HPLA2G2APOLB
SCHEMBL17949517 0.83 MTNR1A (0.65) TRPM8POLBMTNR1AMTNR1BHTR1D
SCHEMBL12299324 0.83 TRPM8 (0.63) TRPM8SIRT2LTA4HPLA2G2APOLB
SCHEMBL9528302 0.83 TRPM8 (0.67) TRPM8SIRT2LTA4HPLA2G2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000012045-A2 METHOD FOR TREATING NEURODEGENERATIVE DISORDERS ST. ELIZABETH'S MEDICAL CENTER OF BOSTON, INC. (US) 2000-03-09 WO disclosed
WO-1999023070-A1 N-ACETYLSEROTONIN DERIVATIVES AND USES THEREOF ST. ELIZABETH'S MEDICAL CENTER OF BOSTON, INC. (US) 1999-05-14 WO disclosed