SCHEMBL1975106

SCHEMBL1975106

O=C(O)C(c1ccccn1)C1CCNC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.48
SLC6A4 P31645 10/20 0.48
SLC6A3 Q01959 9/20 0.48
CYP2D6 P10635 2/20 0.48
KCNH2 Q12809 1/20 0.48
FFAR2 O15552 1/20 0.41
KDM4E B2RXH2 3/20 0.39
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5331611 0.92 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL10360090 0.88 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL14862133 0.81 FFAR2 (0.48) SLC6A2SLC6A4SLC6A3FFAR2KDM4E
SCHEMBL18547184 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL31066542 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL11864971 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL29207782 0.76 FFAR2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL10500255 0.73 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL17064906 0.73 FFAR2 (0.52) SLC6A2SLC6A4SLC6A3FFAR2KDM4E
SCHEMBL3653638 0.72 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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-2086939-B8 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2011-06-22 EP disclosed
EP-2086939-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS AstraZeneca AB (SE) 2009-08-12 EP disclosed
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 WO disclosed