SCHEMBL4649918

SCHEMBL4649918

O=C(CN(CCc1cccc(OCc2cccc(F)c2)c1)Cc1ccco1)Nc1nncs1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR4A2 P43354 1/20 0.37
MAOB P27338 2/20 0.36
TP53 P04637 1/20 0.36
GLS O94925 2/20 0.36
PSMB5 P28074 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35

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
Hydrochloric Acid SCHEMBL67918 0.99 PPARA (0.39) PPARAMAPTKDM4ECYP1A2POLB
SCHEMBL68159 0.89 LMNA (0.46) PPARA
Hydrochloric Acid SCHEMBL69414 0.83 MAOB (0.44) PPARAMAPTPOLBNR4A2MAOB
SCHEMBL69411 0.83 PPARA (0.40) PPARAMAPTNR4A2MAOBTP53
Hydrochloric Acid SCHEMBL70566 0.83 PPARA (0.40) PPARAMAPTNR4A2MAOBTP53
Hydrochloric Acid SCHEMBL67921 0.82 PPARA (0.41) PPARAMAPTNR4A2MAOBTP53
SCHEMBL69070 0.81 MRGPRX4 (0.46) PPARAMAPTPOLBNR4A2MAOB
SCHEMBL67655 0.81 MAPT (0.45) MAPTNR4A2MAOBTP53MRGPRX4
SCHEMBL69288 0.81 PPARA (0.42) PPARAMAPTPOLBNR4A2MAOB
SCHEMBL67451 0.80 MAOB (0.41) PPARAMAPTPOLBNR4A2MAOB

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-1963280-A1 2 -PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS Newron Pharmaceuticals S.p.A. (IT) 2008-09-03 EP disclosed
WO-2007071311-A1 2 -PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-28 WO disclosed