SCHEMBL8230728

SCHEMBL8230728

O=C[C@@H](NC(=O)c1cnccn1)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LONP1 P36776 3/20 0.45
PSMB11 A5LHX3 2/20 0.45
PSMA7 O14818 2/20 0.45
PSMB1 P20618 2/20 0.45
PSMA1 P25786 2/20 0.45
PSMA2 P25787 2/20 0.45
PSMA3 P25788 2/20 0.45
PSMA4 P25789 2/20 0.45
PSMB8 P28062 2/20 0.45
PSMB9 P28065 2/20 0.45
PSMA5 P28066 2/20 0.45
PSMB4 P28070 2/20 0.45

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
SCHEMBL8427720 0.81 MAPT (0.56) MAPTLMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL7857535 0.80 MAPT (0.54) MAPTLMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL329840 0.80 MAPT (0.54) MAPTLMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL8033800 0.79 MAPT (0.53) MAPTLMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL2411970 0.79 MAPT (0.53) MAPTLMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL2411972 0.79 MAPT (0.53) MAPTLMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL10043293 0.79 MAPT (0.53) MAPTLMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL8243704 0.79 MAPT (0.53) MAPTLMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL10044937 0.77 MAPT (0.51) MAPTLMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL13319446 0.77 MAPT (0.51) MAPTLMNASMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910341-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2013-01-02 EP disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 WO disclosed
WO-2007016589-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-08 WO disclosed