SCHEMBL6176903

SCHEMBL6176903

CN(C)Cc1cccnc1-c1ccccc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
CSNK1A1 P48729 1/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
BCAT2 O15382 1/20 0.41
DPP4 P27487 2/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP3A4 P08684 2/20 0.40
PARP1 P09874 1/20 0.40
GRM5 P41594 1/20 0.40
MAPT P10636 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NUDT1 P36639 1/20 0.39

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
SCHEMBL14635930 0.82 KDM4E (0.48) CSNK1A1TYRO3DYRK1BKDM4EALDH1A1
SCHEMBL6589526 0.81 BCAT2 (0.49) CSNK1A1TYRO3DYRK1BKDM4EALDH1A1
SCHEMBL31213435 0.77 SLC6A2 (0.53) KDM4EALDH1A1HPGDHSD17B10BCAT2
SCHEMBL168005 0.77 SLC6A2 (0.53) KDM4EALDH1A1HPGDHSD17B10BCAT2
SCHEMBL28700871 0.77 KDM4E (0.48) CSNK1A1TYRO3DYRK1BKDM4EALDH1A1
SCHEMBL3820615 0.75 KDM4E (0.65) CSNK1A1TYRO3DYRK1BKDM4EALDH1A1
SCHEMBL6174571 0.74 MAPT (0.55) CSNK1A1TYRO3DYRK1BKDM4EALDH1A1
SCHEMBL6178960 0.74 KMT2A (0.48) TRPV1CSNK1A1TYRO3DYRK1BALDH1A1
SCHEMBL6174457 0.71 KDM4E (0.61) TRPV1CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL2330384 0.71 KMT2A (0.50) CSNK1A1TYRO3DYRK1BKDM4EALDH1A1

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-1575918-A2 SUBSTITUTED BIARYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-21 EP claimed
WO-2004056774-A2 SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-08 WO claimed