SCHEMBL7967274

SCHEMBL7967274

COc1ccc2c(c1)COCC2CC(=O)N(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.42
TSPO P30536 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A9 P48067 1/20 0.41
ATM Q13315 1/20 0.41
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL8112722 0.77 THRB (0.49) PPARDTSPONPC1ALDH1A1LMNA
SCHEMBL5228138 0.75 PPARD (0.39) PPARDMTNR1A
SCHEMBL7202243 0.74 MTNR1A (0.57) NPC1ALDH1A1LMNAMAPTRECQL
SCHEMBL4757354 0.73 PPARD (0.54) PPARD
SCHEMBL5261924 0.73 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL5227858 0.72 HTR2A (0.48) PPARD
SCHEMBL5227643 0.72 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL5228877 0.71 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL5528547 0.70 SMPD1 (0.45) PPARDNPC1ALDH1A1MAPTRAB9A
SCHEMBL5229040 0.69 MTNR1A (0.47) MTNR1AMTNR1B

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-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US disclosed