SCHEMBL8487261

SCHEMBL8487261

Cc1cc2c(C3CC3C)cccc2o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.36
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
CYP1A1 P04798 5/20 0.34
CYP1A2 P05177 5/20 0.34
CYP1B1 Q16678 5/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8487259 0.85 MTNR1A (0.36) SLC6A4MTNR1AMTNR1BCYP1A1CYP1A2
SCHEMBL27463661 0.85 MTNR1A (0.36) SLC6A4MTNR1AMTNR1BCYP1A1CYP1A2
Methyl Alcohol SCHEMBL27547344 0.83 MTNR1A (0.37) SLC6A4MTNR1AMTNR1BCYP1A1CYP1A2
Methylamine SCHEMBL27481947 0.83 MTNR1A (0.34) SLC6A4MTNR1AMTNR1BCYP1A1CYP1A2
SCHEMBL6682738 0.81 HTR2C (0.54) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL6682734 0.81 HTR2C (0.54) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL6677157 0.80 MTNR1A (0.35) SLC6A4MTNR1AMTNR1BCYP1A1CYP1A2
SCHEMBL6677159 0.80 MTNR1A (0.35) SLC6A4MTNR1AMTNR1BCYP1A1CYP1A2
SCHEMBL24458750 0.79 PDK2 (0.36) SLC6A4CYP1A1CYP1A2CYP1B1HTR2C
Methylamine SCHEMBL27481195 0.77 PDK2 (0.35) SLC6A4CYP1A1CYP1A2CYP1B1HTR2C

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-5856529-A ADJUSTMENT OF NERVOUS SYSTEM, ENDOCRINE FUNCTION; REPRODUCTION, BODY WEIGHT AND METABOLISM BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-05 US disclosed