SCHEMBL6388258

SCHEMBL6388258

O=C(Nc1cnc2ccccc2c1)c1ccccc1NCC(=O)C1CCCCC1.O=C(c1ccccc1)N(NCC1CCCCCC1)c1cnc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.47
KDR P35968 5/20 0.46
FLT1 P17948 1/20 0.46
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
F12 P00748 1/20 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

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
SCHEMBL6386842 0.87 TRPV1 (0.49) TRPV1KDRFLT1RXFP1NPC1
SCHEMBL6385413 0.83 TRPV1 (0.60) TRPV1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL6385099 0.81 TRPV1 (0.57) TRPV1KDRFLT1RXFP1NPC1
SCHEMBL6384012 0.79 KDR (0.46) TRPV1KDRFLT1RXFP1NPC1
SCHEMBL6384010 0.78 TRPV1 (0.58) TRPV1KDRFLT1NPC1RAB9A
SCHEMBL6384252 0.77 TRPV1 (0.48) TRPV1KDR
SCHEMBL846053 0.73 TRPV1 (0.70) TRPV1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL6384011 0.73 TRPV1 (0.48) TRPV1KDRFLT1NPC1RAB9A
SCHEMBL847627 0.73 TRPV1 (0.62) TRPV1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL6382503 0.72 TRPV1 (0.51) TRPV1KDRFLT1RXFP1

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