SCHEMBL7522003

SCHEMBL7522003

NC(=O)c1cnc(CCO)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.41
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
MAP2K1 Q02750 1/20 0.32
PDPK1 O15530 1/20 0.32
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
HTR1B P28222 1/20 0.32
HRH1 P35367 1/20 0.32
DAO P14920 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BRS3 P32247 3/20 0.31

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
SCHEMBL27394755 0.84 MMP2 (0.43) MMP2MMP9MMP13BAZ2BBRS3
SCHEMBL27807589 0.75 MMP2 (0.36) MMP2MMP9MMP13MAP2K1PDPK1
SCHEMBL23337994 0.73 MMP2 (0.50) MMP2MMP9MMP13DAOBRS3
SCHEMBL8308592 0.70 MAP2K1 (0.38) MAP2K1PDPK1CCNCCDK8BAZ2B
SCHEMBL19339784 0.68
SCHEMBL759817 0.68
SCHEMBL14249526 0.67 CCNC (0.47) MMP2CCNCCDK8
Trifluoroacetic Acid SCHEMBL28784262 0.67 MMP2 (0.34) MMP2MMP9MMP13HRH1
SCHEMBL10869963 0.67 PIN1 (0.39) MAP2K1PDPK1CCNCCDK8DAO
SCHEMBL14744177 0.67 MMP2 (0.67) MMP2MMP9MMP13HTR1BHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP claimed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO claimed
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP disclosed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO disclosed