SCHEMBL8110259

SCHEMBL8110259

COc1cc2[nH]cc(CC#N)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.59
MTNR1A P48039 5/20 0.51
MTNR1B P49286 4/20 0.51
HTR1A P08908 2/20 0.46
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
APEX1 P27695 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2B P41595 3/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 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
SCHEMBL11617511 0.88 CSNK2A1 (0.63) CSNK2A1MTNR1AMTNR1BHTR1ACYP1A2
SCHEMBL11617596 0.88 HTR1A (0.61) CSNK2A1MTNR1AMTNR1BHTR1ACYP1A2
SCHEMBL8579949 0.88 CSNK2A1 (0.59) CSNK2A1MTNR1AMTNR1BHTR1ACYP1A2
SCHEMBL27559060 0.80 MTNR1A (0.60) MTNR1AMTNR1BHTR1ACYP1A2CYP3A4
SCHEMBL2727889 0.78 HTR2A (0.62) CSNK2A1MTNR1AMTNR1BHTR1ACYP2D6
SCHEMBL2724551 0.78 GPR84 (0.69) CSNK2A1MTNR1AMTNR1BHTR1ACYP1A2
SCHEMBL9666304 0.78 HTR2B (0.61) MTNR1AMTNR1BHTR1ACYP1A2CYP3A4
SCHEMBL9265645 0.76 MTNR1A (0.50) MTNR1AMTNR1BHTR1ACYP1A2CYP3A4
SCHEMBL7850885 0.75 HTR2A (0.63) MTNR1AMTNR1BHTR1ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7683721 0.74 NPSR1 (0.64) MTNR1AMTNR1BHTR1ACYP1A2NPSR1

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-6114373-A ADMINISTERING 6-METHOXYMELATONIN TO TREAT FREE RADICAL RELATED DISEASES SUCH AS ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, HEART DISEASE, CANCER, AND TO SLOW THE AGING PROCESS TAN DUN-XIAN (US) 2000-09-05 US disclosed