SCHEMBL7733853

SCHEMBL7733853

CCC(NC(C)=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.49
MMP9 P14780 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HCRTR1 O43613 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
UGT2B7 P16662 1/20 0.46
TPH1 P17752 1/20 0.46
GPR88 Q9GZN0 1/20 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
SCHEMBL14334943 0.82 TDP1 (0.46) UTS2RMMP9MTNR1AMTNR1BHCRTR1
SCHEMBL28510176 0.80 UTS2R (0.46) UTS2RMMP9MTNR1AMTNR1BHCRTR1
SCHEMBL1320898 0.80 KDM4E (0.52) UTS2R
SCHEMBL186238 0.80 LMNA (0.61) TDP1
SCHEMBL186230 0.80 LMNA (0.61) TDP1
SCHEMBL186416 0.80 LMNA (0.61) TDP1
SCHEMBL7733336 0.79 MTNR1A (0.47) UTS2RMMP9MTNR1AMTNR1BHCRTR1
SCHEMBL7731872 0.79 MTNR1A (0.47) UTS2RMMP9MTNR1AMTNR1BHCRTR1
SCHEMBL7734521 0.79 MMP9 (0.69) MMP9HCRTR1TDP1NPC1HSP90AA1
SCHEMBL14986294 0.79 MMP9 (0.69) MMP9HCRTR1TDP1NPC1HSP90AA1

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
US-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 WO disclosed