SCHEMBL4449144

SCHEMBL4449144

CN(CCc1ccccc1)c1nc([C@]2(CC(=O)O)CCCNC2)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
EPHX1 P07099 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
EPHX2 P34913 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.38
CNR2 P34972 5/20 0.37
CNR1 P21554 3/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
IDH1 O75874 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL1973300 0.97 HSD11B1 (0.48) HSD11B1EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL1973692 0.83 NPC1 (0.42) HSD11B1EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL1972181 0.83 HSD11B1 (0.64) HSD11B1IDH1
SCHEMBL1975071 0.81 IDH1 (0.49) HSD11B1EPHX1EPHX2CNR2CNR1
SCHEMBL1970498 0.81 HSD11B1 (0.41) HSD11B1NPC1RAB9ASMN1; SMN2CNR2
SCHEMBL1971013 0.79 SLC6A12 (0.54) HSD11B1EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL1972364 0.79 CNR2 (0.41) HSD11B1RAB9AL3MBTL1CNR2CNR1
SCHEMBL4455215 0.78 HSD11B1 (0.39) HSD11B1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL1969400 0.78 HSD11B1 (0.51) HSD11B1CNR2CNR1IDH1
SCHEMBL1970986 0.78 HSD11B1 (0.51) HSD11B1NPC1RAB9ASMN1; SMN2TSHR

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