SCHEMBL493514

SCHEMBL493514

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.44
HDAC6 Q9UBN7 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
SMPD1 P17405 1/20 0.38
MTTP P55157 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL493708 0.85 KMT2A (0.39) SMN1; SMN2LMNAKMT2AMAPTMTTP
SCHEMBL493863 0.82 LMNA (0.48) HDAC4HDAC6SMN1; SMN2LMNAKMT2A
SCHEMBL493621 0.79 CYP2D6 (0.45) SMN1; SMN2NPC1CYP3A4CYP2D6CYP2C9
SCHEMBL493256 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKMT2APKMMAPT
SCHEMBL1327459 0.76 MCHR1 (0.51) HDAC6KMT2AOPRM1OPRL1MEN1
SCHEMBL494420 0.76 LMNA (0.46) HDAC4HDAC6SMN1; SMN2LMNAKMT2A
SCHEMBL493647 0.75 KDM4E (0.48) HDAC4SMN1; SMN2LMNAKMT2APKM
SCHEMBL4231730 0.74 RAB9A (0.41) SMN1; SMN2LMNAMAPTSIRT2NPC1
SCHEMBL1327796 0.73 OPRL1 (0.43) HDAC4OPRM1OPRL1
SCHEMBL493393 0.73 OPRL1 (0.44) OPRM1OPRL1

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed