SCHEMBL846057

SCHEMBL846057

O=C(Nc1cc2ccccc2nc1Cl)c1ccc(C23CCC(CC2)CNC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SERPINE1 P05121 1/20 0.38
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
TRPV1 Q8NER1 4/20 0.36
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.33
KDR P35968 1/20 0.33
MITF O75030 1/20 0.33
XBP1 P17861 1/20 0.33
PAX8 Q06710 1/20 0.33
KLF5 Q13887 1/20 0.33
STK33 Q9BYT3 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL845787 0.74 TNKS (0.43) RAB9ANPC1SERPINE1HTTATM
SCHEMBL846515 0.71 TRPV1 (0.48) RAB9ANPC1TRPV1SMN1; SMN2HDAC3
SCHEMBL846832 0.71 TRPV1 (0.60) RAB9ANPC1SERPINE1HTTATM
SCHEMBL846514 0.71 TRPV1 (0.68) RAB9ANPC1HTTATMTRPV1
SCHEMBL846284 0.70 RAB9A (0.57) RAB9ANPC1SERPINE1HTTSMN1; SMN2
SCHEMBL6383953 0.66 HTT (0.49) RAB9ANPC1HTTATMSMN1; SMN2
SCHEMBL846141 0.65 MAPT (0.42) NPC1HTTATMTRPV1ALDH1A1
SCHEMBL846079 0.64 NPC1 (0.43) RAB9ANPC1TRPV1
SCHEMBL846031 0.61 IRAK4 (0.43) RAB9ANPC1HTTTRPV1MAOB
SCHEMBL860046 0.60 TRPV1 (0.67) RAB9ANPC1TRPV1SMN1; SMN2KDM4E

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
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed