SCHEMBL27592014

SCHEMBL27592014

CCOc1ccc(-n2c(CCNC(=O)OC(C)(C)C)nc3ccccc3c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
KCNH2 Q12809 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
CXCR3 P49682 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL15164727 0.91 PDE10A (0.69) PDE10AMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7147056 0.88 PDE10A (0.60) PDE10AMEN1KMT2ACYP1A2CYP3A4
SCHEMBL15819453 0.83 PDE10A (0.50) PDE10AMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1892283 0.81 MAPT (0.48) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL1892286 0.81 MAPT (0.48) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL14114993 0.80 LMNA (0.64) PDE10AMEN1KMT2ACYP1A2CYP3A4
SCHEMBL21119271 0.80 MAPT (0.58) MAPT
SCHEMBL15826339 0.79 HTR7 (0.49) PDE10A
SCHEMBL14115045 0.79 MEN1 (0.61) PDE10AMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5578378 0.79 PDE10A (0.58) PDE10AMEN1KMT2ACYP1A2CYP3A4

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-1575177-A Cxcr3 antagonists TULARIK INC (US) 2005-02-02 CN disclosed