SCHEMBL8486172

SCHEMBL8486172

CC(=O)N(C)C1CC1c1cccc2c1OCO2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
DRD2 P14416 14/20 0.39
HTR2A P28223 13/20 0.39
DRD3 P35462 13/20 0.39
MAOB P27338 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL8489606 0.90 DRD2 (0.45) GAADRD2
SCHEMBL8485165 0.87 MGAM (0.41) MGAMAMY1AGAASIMGAM2
SCHEMBL8485169 0.87 MGAM (0.41) MGAMAMY1AGAASIMGAM2
SCHEMBL8488784 0.86 MGAM (0.41) MGAMAMY1AGAASIMGAM2
SCHEMBL8490819 0.86 MGAM (0.48) MGAMAMY1AGAASIMGAM2
SCHEMBL8485761 0.84 MGAM (0.47) MGAMAMY1AGAASIMGAM2
SCHEMBL8487683 0.79 DRD2 (0.43) MGAMAMY1AGAASIMGAM2
SCHEMBL8488457 0.78 MTNR1B (0.54) DRD2HTR2ADRD3
SCHEMBL8489458 0.76 MTNR1B (0.46) DRD2HTR2ADRD3
SCHEMBL8490024 0.76 DRD2 (0.46) DRD2

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