SCHEMBL1973692

SCHEMBL1973692

O=C(O)C[C@@]1(c2ccc(C(=O)NC3CCCCC3)c(NCCc3ccccc3)n2)CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
EPHX1 P07099 3/20 0.42
EPHX2 P34913 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD11B1 P28845 1/20 0.40
AURKB Q96GD4 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
CNR2 P34972 4/20 0.39
CNR1 P21554 3/20 0.39
IDH1 O75874 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 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
SCHEMBL1970153 0.93 EPHX1 (0.43) NPC1RAB9AEPHX1ALDH1A1MEN1
SCHEMBL1970096 0.89 HSD11B1 (0.51) HSD11B1
SCHEMBL1975071 0.84 IDH1 (0.49) EPHX1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL4449144 0.83 HSD11B1 (0.43) NPC1RAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL1970498 0.82 HSD11B1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4455215 0.81 HSD11B1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1973300 0.81 HSD11B1 (0.48) NPC1RAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL1972456 0.80 HSD11B1 (0.43) SMN1; SMN2TSHRALDH1A1HSD11B1CNR2
SCHEMBL1972364 0.79 CNR2 (0.41) RAB9AALDH1A1HSD11B1CNR2CNR1
SCHEMBL1969400 0.79 HSD11B1 (0.51) HSD11B1CNR2CNR1IDH1

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 6 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 claimed
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