SCHEMBL6249134

SCHEMBL6249134

CC[C@H](N)Cc1ncc(-c2cc(C)on2)o1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6423009 0.78 POLB (0.32) KDM4ERAB9APOLB
SCHEMBL8290833 0.76 POLB (0.33) KDM4ENPC1RAB9APOLB
SCHEMBL3876734 0.76 POLB (0.33) KDM4ENPC1RAB9APOLB
SCHEMBL3876732 0.76 POLB (0.33) KDM4ENPC1RAB9APOLB
SCHEMBL5775962 0.68 KDM4E (0.37) KDM4ENPC1RAB9APOLB
SCHEMBL19214808 0.66 TLR8 (0.33)
SCHEMBL12261480 0.59 TRPM8 (0.38) NPC1RAB9A
SCHEMBL1672443 0.58 RAB9A (0.44) KDM4ENPC1RAB9APOLB
SCHEMBL3881663 0.58 LMNA (0.44) KDM4ENPC1RAB9APOLB
SCHEMBL5703675 0.57 SCN5A (0.36)

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
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO disclosed