SCHEMBL1712413

SCHEMBL1712413

O=CCN1CCN(c2ccc(CO)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.51
GAA P10253 2/20 0.41
DRD4 P21917 4/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPT P10636 2/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
POLB P06746 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
VHL P40337 1/20 0.38
ELOC Q15369 1/20 0.38
ELOB Q15370 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL23355697 0.87 S1PR1 (0.44) CHKADRD4DRD2DRD3S1PR1
SCHEMBL23780016 0.83 MAPT (0.41) CHKAGAADRD4DRD2DRD3
SCHEMBL4574889 0.83 DRD4 (0.54) GAADRD4DRD2DRD3MAPT
SCHEMBL3320391 0.83 HRH3 (0.44) POLBALDH1A1LMNA
SCHEMBL1018073 0.79 MAPT (0.61) GAAMAPTPOLBSMN1; SMN2USP2
SCHEMBL1412431 0.79 CHRNA7 (0.58) DRD4DRD2DRD3MAPTSMN1; SMN2
SCHEMBL17923026 0.78 ALDH1A1 (0.46) GAADRD4MAPTSMN1; SMN2USP2
SCHEMBL5366249 0.77 GAA (0.62) CHKAGAADRD2S1PR1MAPT
SCHEMBL3346858 0.76 GAA (0.43) GAADRD4MAPTSMN1; SMN2ALOX15
SCHEMBL27605992 0.76 CHRNA7 (0.38) GAADRD4DRD2DRD3MAPT

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-2343980-A1 TRIAZOLE ANTIFUNGAL AGENTS Wu, Nian (US) 2011-07-20 EP disclosed
WO-2010027496-A1 TRIAZOLE ANTIFUNGAL AGENTS WU NIAN (US) 2010-03-11 WO disclosed