SCHEMBL1968323

SCHEMBL1968323

O=C(O)C[C@@]1(c2ccc(C(=O)NC3CCCCC3)c(OCCc3cccnc3)n2)CCCNC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.47
CNR2 P34972 6/20 0.46
CNR1 P21554 5/20 0.46
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
FKBP1A P62942 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL1975071 0.88 IDH1 (0.49) IDH1CNR2CNR1SGMS2ALDH1A1
SCHEMBL1969945 0.86 IDH1 (0.64) IDH1HSD11B1
SCHEMBL1967072 0.85 HSD11B1 (0.52) IDH1CNR2CNR1HSD11B1
SCHEMBL1972456 0.84 HSD11B1 (0.43) IDH1CNR2CNR1LMNATSHR
SCHEMBL1972364 0.81 CNR2 (0.41) IDH1CNR2CNR1KDM4EALDH1A1
SCHEMBL2012442 0.79 CNR2 (0.54) IDH1CNR2CNR1LMNATSHR
SCHEMBL1973692 0.78 NPC1 (0.42) IDH1CNR2CNR1LMNATSHR
SCHEMBL1970498 0.77 HSD11B1 (0.41) CNR2CNR1LMNASMN1; SMN2KDM4E
SCHEMBL4455215 0.76 HSD11B1 (0.39) IDH1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL1972695 0.76 HSD11B1 (0.44) IDH1ALDH1A1HSD11B1

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 5 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
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