SCHEMBL7521995

SCHEMBL7521995

NC(=O)c1cncn1CCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.37
TGFBR2 P37173 3/20 0.37
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
TDO2 P48775 1/20 0.33
PIM1 P11309 1/20 0.32
TTK P33981 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
LMNA P02545 1/20 0.32
ADORA2B P29275 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL30163047 0.86 TGFBR1 (0.37) TGFBR1TGFBR2ADORA2ACYP11B1CYP11B2
SCHEMBL31702139 0.80 CCNC (0.40) TGFBR1TGFBR2CCNCCDK8CYP11B1
SCHEMBL5529154 0.80 CPB2 (0.33) TGFBR1CYP3A4
SCHEMBL24791689 0.79 HTR7 (0.43) TGFBR1TGFBR2CCNCCDK8CYP11B1
SCHEMBL30373485 0.75 CCNC (0.37) TGFBR1TGFBR2CCNA2CDK2CCNA1
SCHEMBL31518568 0.74 HTR1A (0.33) CCNCCDK8CYP11B1CYP11B2LMNA
SCHEMBL5369228 0.72
SCHEMBL2638060 0.72
SCHEMBL27611348 0.71 LMNA (0.53) TGFBR1TGFBR2LMNA
SCHEMBL20962575 0.70 LMNA (0.38) ADORA2AADORA1TDO2CYP11B1CYP11B2

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