SCHEMBL14479243

SCHEMBL14479243

Cc1c(C(=O)N[C@@H]2[C@@H]3C[C@]4(O)CC=C3[C@@H]2C4)oc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.54
RAB9A P51151 10/20 0.54
SMN1; SMN2 Q16637 6/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 2/20 0.43
ATM Q13315 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL14269913 0.83 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL4401806 0.77 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL14260939 0.77 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL1156414 0.73 NPC1 (0.90) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL14269918 0.71 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL1761568 0.70 NPC1 (0.57) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL14880019 0.68 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL4109825 0.68 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL6240044 0.67 NPC1 (0.63) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL5866924 0.65 LMNA (0.79) NPC1RAB9ASMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344181-B2 Obesity, type 2 diabetes, hyperlipidemia, hypertension, arteriosclerosis, coronary heart diseases JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-01 US disclosed