SCHEMBL6384010

SCHEMBL6384010

O=C(Nc1cnc2ccccc2c1)c1ccccc1NC1CCCC1.O=C(c1ccccc1)N(NC1CCCCC1)c1cnc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.58
KDR P35968 9/20 0.48
FLT1 P17948 1/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
MITF O75030 1/20 0.41
XBP1 P17861 1/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6388258 0.78 TRPV1 (0.47) TRPV1KDRFLT1NPC1RAB9A
SCHEMBL846099 0.76 TRPV1 (0.80) TRPV1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL6386842 0.75 TRPV1 (0.49) TRPV1KDRFLT1NPC1RAB9A
SCHEMBL6385099 0.75 TRPV1 (0.57) TRPV1KDRFLT1NPC1RAB9A
SCHEMBL6385413 0.74 TRPV1 (0.60) TRPV1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL846014 0.74 TRPV1 (1.00) TRPV1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL846509 0.74 TRPV1 (1.00) TRPV1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL6385577 0.73 TRPV1 (0.47) TRPV1KDRFLT1
SCHEMBL845960 0.73 TRPV1 (0.98) TRPV1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL845842 0.72 TRPV1 (0.80) TRPV1KDRNPC1RAB9ASMN1; SMN2

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 4 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 claimed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO claimed
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