SCHEMBL1970153

SCHEMBL1970153

O=C(O)C[C@@]1(c2ccc(C(=O)NC3CCCCC3)c(NCCc3ccc(Cl)cc3)n2)CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CNR1 P21554 4/20 0.39
CNR2 P34972 1/20 0.39
IDH1 O75874 1/20 0.39
HSD11B1 P28845 3/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MCHR1 Q99705 1/20 0.37
AURKB Q96GD4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1973692 0.93 NPC1 (0.42) EPHX1NPC1RAB9AKMT2AMEN1
SCHEMBL1970096 0.86 HSD11B1 (0.51) HSD11B1
SCHEMBL1970498 0.80 HSD11B1 (0.41) NPC1RAB9AKMT2ACNR1CNR2
SCHEMBL4455215 0.79 HSD11B1 (0.39) NPC1RAB9AKMT2AMEN1IDH1
SCHEMBL2005832 0.78 EPHX1 (0.57) EPHX1NPC1RAB9AKMT2AMEN1
SCHEMBL1972364 0.77 CNR2 (0.41) RAB9ACNR1CNR2IDH1HSD11B1
SCHEMBL1975071 0.77 IDH1 (0.49) EPHX1KMT2AMEN1CNR1CNR2
SCHEMBL1969400 0.77 HSD11B1 (0.51) CNR1CNR2IDH1HSD11B1
SCHEMBL1970094 0.77 MEN1 (0.48) KMT2AMEN1IDH1HSD11B1
SCHEMBL1968067 0.77 HSD11B1 (0.51) RAB9AIDH1HSD11B1ALDH1A1

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