SCHEMBL3672269

SCHEMBL3672269

O=C(O)NCCC(=O)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 3/20 0.60
HTR7 P34969 1/20 0.53
PTPN1 P18031 1/20 0.50
HSD11B1 P28845 1/20 0.49
PLOD2 O00469 1/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
PAX8 Q06710 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CTNNB1 P35222 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL22982704 0.82 MAPT (0.58) NPC1RAB9APTPN1KMT2AMEN1
SCHEMBL17301675 0.81 NPC1 (0.64) NPC1RAB9AHTR7PTPN1HSD11B1
SCHEMBL15973607 0.81 MAPT (0.58) NPC1RAB9AHTR7PTPN1HSD11B1
SCHEMBL26584242 0.80 NPC1 (0.82) NPC1RAB9AHTR7PTPN1HSD11B1
SCHEMBL14294951 0.79 NPC1 (0.62) NPC1RAB9AHTR7PTPN1HSD11B1
SCHEMBL9775167 0.79 CA12 (0.57) NPC1RAB9AHTR7HSD11B1KMT2A
Hydrochloric Acid SCHEMBL31280787 0.78 NPC1 (0.60) NPC1RAB9AHTR7PTPN1HSD11B1
SCHEMBL19133492 0.76 NPC1 (0.67) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL315309 0.76 RAB9A (0.69) NPC1RAB9AHTR7PTPN1HSD11B1
SCHEMBL4485908 0.76 RAB9A (0.69) NPC1RAB9AHTR7PTPN1HSD11B1

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
US-8680281-B2 Lactam inhibitors of 11-β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
EP-2240448-A1 LACTAM INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-10-20 EP disclosed
WO-2009088997-A1 LACTAM INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-07-16 WO disclosed