SCHEMBL8489167

SCHEMBL8489167

CC(=O)N(C)C1CC1c1cccc2occc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
OPRM1 P35372 5/20 0.39
OPRK1 P41145 5/20 0.39
DRD2 P14416 5/20 0.39
HTR2A P28223 5/20 0.39
DRD3 P35462 5/20 0.39
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL8486791 0.86 OPRM1 (0.44) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL8490207 0.86 OPRM1 (0.39) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL8487305 0.86 OPRM1 (0.40) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL8491693 0.85 OPRM1 (0.43) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL8487179 0.80 MTNR1A (0.39) SLC6A2SLC6A4SLC6A3MTNR1AMTNR1B
SCHEMBL8488807 0.79 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR2ADRD3
SCHEMBL8485551 0.74 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3DRD2HTR2A
SCHEMBL6678094 0.73 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL6678093 0.73 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL31562406 0.73 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3OPRM1OPRK1

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