SCHEMBL8326038

SCHEMBL8326038

CC(C)c1cccc([CH]C(C)(N)Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
TAAR1 Q96RJ0 3/20 0.42
KIF11 P52732 2/20 0.39
TRPA1 O75762 1/20 0.36
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PPARG P37231 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
BACE1 P56817 3/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
BCHE P06276 3/20 0.33
PTPN5 P54829 1/20 0.33

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
SCHEMBL8324902 0.82 MAOB (0.49) SLC6A2TAAR1TRPA1MAOALMNA
SCHEMBL8324690 0.81 TAAR1 (0.46) SLC6A2TAAR1MAOABACE1LMNA
SCHEMBL8325974 0.79 NFE2L2 (0.46) SLC6A2TAAR1CYP2D6
SCHEMBL8323030 0.79 SLC6A2 (0.44) SLC6A2TAAR1KIF11SLC6A4SLC6A3
SCHEMBL8323216 0.78 SLC6A2 (0.46) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
SCHEMBL8321777 0.77 GRIN1 (0.45) SLC6A2TAAR1SMN1; SMN2
SCHEMBL8324358 0.73 TAAR1 (0.43) SLC6A2TAAR1KIF11MAOASLC6A4
SCHEMBL8323792 0.72 SLC6A2 (0.50) SLC6A2TAAR1KIF11TRPA1BACE1
SCHEMBL8322751 0.71 LMNA (0.37) SLC6A2TAAR1KIF11MAOASLC6A4
SCHEMBL8321757 0.71 SLC6A2 (0.48) SLC6A2TAAR1KIF11TRPA1BACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed