SCHEMBL3239846

SCHEMBL3239846

O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2C[CH]CCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CNR2 P34972 4/20 0.47
POLB P06746 1/20 0.46
FAAH O00519 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
UCHL1 P09936 1/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.41
PABPC1 P11940 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2008004 0.78 RAB9A (0.47) TSHRFAAHALDH1A1KDM4EHPGD
SCHEMBL1968395 0.73 HSD11B1 (0.68)
SCHEMBL23902890 0.66 TSHR (1.00) TSHRCNR2POLBFAAHALDH1A1
SCHEMBL28355432 0.66 FAAH (0.78) TSHRCNR2POLBFAAHALDH1A1
SCHEMBL2917775 0.66 CNR2 (1.00) TSHRCNR2POLBFAAHALDH1A1
SCHEMBL32675216 0.65 KDM4E (0.64) CNR2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL2979620 0.65 UBE2T (0.56) TSHRPOLBALDH1A1KDM4EHSD17B10
SCHEMBL3598305 0.65 UBE2T (0.60) TSHRPOLBALDH1A1KDM4EHSD17B10
SCHEMBL30175325 0.65 UBE2T (0.56) POLBALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2913054 0.65 FAAH (0.71) TSHRCNR2POLBFAAHALDH1A1

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 4 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-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 EP disclosed
EP-2086939-B1 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2010-07-28 EP disclosed