SCHEMBL6386609

SCHEMBL6386609

CC(C)CCN(C)N(C(=O)c1ccccc1)c1cnc2ccccc2c1.CN(CC=Cc1ccccc1)c1ccccc1C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.44
TRPV1 Q8NER1 9/20 0.42
FLT1 P17948 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MITF O75030 1/20 0.37
XBP1 P17861 1/20 0.37
PAX8 Q06710 1/20 0.37
KLF5 Q13887 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6386666 0.86 TRPV1 (0.44) KDRTRPV1FLT1
SCHEMBL6384540 0.79 TRPV1 (0.61) KDRTRPV1FLT1
SCHEMBL6386387 0.79 TRPV1 (0.60) KDRTRPV1FLT1
SCHEMBL6384391 0.78 TRPV1 (0.55) KDRTRPV1FLT1
SCHEMBL6383904 0.78 TRPV1 (0.51) KDRTRPV1FLT1
SCHEMBL6388262 0.77 TRPV1 (0.54) KDRTRPV1FLT1
SCHEMBL6384014 0.77 TRPV1 (0.54) KDRTRPV1FLT1
SCHEMBL6383970 0.77 TRPV1 (0.54) KDRTRPV1FLT1
SCHEMBL6382791 0.77 TRPV1 (0.54) KDRTRPV1FLT1
SCHEMBL6386207 0.76 TRPV1 (0.55) KDRTRPV1FLT1

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-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO disclosed