SCHEMBL27786243

SCHEMBL27786243

CC(Cc1ccccc1Cl)C(C)(N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CNR1 P21554 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CTBP2 P56545 1/20 0.39
PNMT P11086 1/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 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
SCHEMBL27644397 0.79 PPARG (0.41) PPARGPPARACNR1SLC6A2SLC6A4
SCHEMBL27644703 0.79 NPC1 (0.47) SLC6A2SLC6A4SLC6A3NPC1SMN1; SMN2
SCHEMBL9696386 0.78 BLM (0.49) PPARGPPARANPC1SMN1; SMN2ALDH1A1
SCHEMBL27665344 0.75 ALDH1A1 (0.43) PPARGPPARACNR1SLC6A2SLC6A4
SCHEMBL11274351 0.75 SLC6A2 (0.46) PPARGPPARACNR1SLC6A2SLC6A4
SCHEMBL17093267 0.74 PPARG (0.43) PPARGPPARACNR1LMNANPC1
SCHEMBL17093327 0.74 PPARG (0.43) PPARGPPARACNR1LMNANPC1
SCHEMBL28369683 0.74 PPARG (0.43) PPARGPPARACNR1LMNANPC1
SCHEMBL1454266 0.74 PPARG (0.53) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL14208222 0.74 PPARG (0.53) PPARGPPARASLC6A2SLC6A4SLC6A3

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
CN-101600700-A Novel 2-aminooxazolines as TAAR1 ligands for CNS disorders HOFFMANN LA ROCHE (CH) 2009-12-09 CN disclosed