SCHEMBL2636853

SCHEMBL2636853

O=C(O)N1CCC(c2ncc(Cl)cn2)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.60
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SPR P35270 3/20 0.38
AOC3 Q16853 1/20 0.36

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
SCHEMBL1740550 0.87 HSD11B1 (0.48) HSD11B1NPC1LMNATP53MAPT
SCHEMBL19376023 0.81 HSD11B1 (0.49) HSD11B1NPC1LMNATP53MAPT
SCHEMBL29138582 0.79 HSD11B1 (0.61) HSD11B1LMNATP53MAPTSMN1; SMN2
SCHEMBL25431355 0.76 HSD11B1 (0.39) HSD11B1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL28543260 0.75 CCNK (0.60)
SCHEMBL28543261 0.75 CCNK (0.60)
SCHEMBL28552948 0.75 CCNK (0.60)
SCHEMBL4958586 0.74 NPC1 (0.62) HSD11B1NPC1LMNATP53MAPT
SCHEMBL829518 0.74 SPR (0.51) HSD11B1NPC1LMNATP53MAPT
SCHEMBL31622418 0.74 HSD11B1 (0.39) HSD11B1SPR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438043-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
WO-2010141424-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed