SCHEMBL8485229

SCHEMBL8485229

CC1CC1c1cccc2c1OCO2

nearest known ligand 0.43

Predicted protein targets (top 14)

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
ABCG2 Q9UNQ0 1/20 0.40
PTGS1 P23219 4/20 0.37
PTGS2 P35354 4/20 0.37
DRD2 P14416 9/20 0.36
HTR2A P28223 9/20 0.36
DRD3 P35462 9/20 0.36
EED O75530 1/20 0.36
GSK3B P49841 1/20 0.35
MAPK9 P45984 2/20 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
SCHEMBL8488320 0.86 DRD2 (0.41) PTGS1PTGS2DRD2
SCHEMBL8485225 0.82 ABCG2 (0.40) MGAMAMY1AGAASIMGAM2
SCHEMBL6679351 0.78 HTR2C (0.51) MGAMAMY1AGAASIMGAM2
SCHEMBL6679348 0.78 HTR2C (0.51) MGAMAMY1AGAASIMGAM2
SCHEMBL6677212 0.77 MGAM (0.40) MGAMAMY1AGAASIMGAM2
SCHEMBL6677215 0.77 MGAM (0.40) MGAMAMY1AGAASIMGAM2
Methylamine SCHEMBL27464902 0.75 MGAM (0.49) MGAMAMY1AGAASIMGAM2
SCHEMBL6782222 0.74 ABCG2 (0.43) MGAMAMY1AGAASIMGAM2
SCHEMBL8486172 0.74 MGAM (0.43) MGAMAMY1AGAASIMGAM2
SCHEMBL13584700 0.73 ABCG2 (0.46) MGAMAMY1AGAASIMGAM2

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