SCHEMBL8487307

SCHEMBL8487307

CC(C(N)=O)C(C)C1CC1c1cccc2occc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2A P28223 9/20 0.37
DRD2 P14416 7/20 0.37
DRD3 P35462 7/20 0.37
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
HTR1A P08908 1/20 0.31

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
SCHEMBL8489168 0.88 SLC6A4 (0.39) ALOX5SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL8486794 0.83 SLC6A4 (0.40) ALOX5SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL8491694 0.80 HTR2A (0.40) ALOX5SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL6678093 0.73 SLC6A4 (0.44) ALOX5SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL6678094 0.73 SLC6A4 (0.44) ALOX5SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL8489828 0.73 MGAM (0.46) ALOX5HTR2ADRD2DRD3
SCHEMBL8487685 0.73 DRD2 (0.41) ALOX5DRD2MTNR1AMTNR1BHTR1A
SCHEMBL8488076 0.71 MTNR1B (0.39) ALOX5MTNR1AMTNR1B
SCHEMBL8485551 0.71 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3HTR2ADRD2
SCHEMBL8487182 0.71 MTNR1A (0.39) ALOX5MTNR1AMTNR1B

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