SCHEMBL1970498

SCHEMBL1970498

Cc1nc([C@]2(CC(=O)O)CCCNC2)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
ADORA2A P29274 1/20 0.39
ATM Q13315 1/20 0.39
CNR2 P34972 2/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
F12 P00748 1/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.37
NR3C1 P04150 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1972364 0.87 CNR2 (0.41) HSD11B1RAB9ACNR2CNR1ALDH1A1
SCHEMBL4455215 0.87 HSD11B1 (0.39) HSD11B1LMNARAB9ANPC1ALDH1A1
SCHEMBL1970096 0.86 HSD11B1 (0.51) HSD11B1
SCHEMBL1969400 0.85 HSD11B1 (0.51) HSD11B1CNR2CNR1
SCHEMBL1968067 0.85 HSD11B1 (0.51) HSD11B1RAB9AALDH1A1
SCHEMBL1970094 0.85 MEN1 (0.48) HSD11B1KMT2ACYP1A2CYP2C19
SCHEMBL1969635 0.84 HSD11B1 (0.39) HSD11B1LMNACNR2CNR1ALDH1A1
SCHEMBL1967351 0.84 HSD11B1 (0.61) HSD11B1
SCHEMBL1967072 0.84 HSD11B1 (0.52) HSD11B1CNR2CNR1
SCHEMBL1973692 0.82 NPC1 (0.42) HSD11B1LMNARAB9ANPC1CNR2

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