SCHEMBL846558

SCHEMBL846558

CCC(C)(C)c1ccc(/C=C/C(=O)Nc2cnc3ccccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.54
RAB9A P51151 5/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 4/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDR P35968 1/20 0.48
NAMPT P43490 1/20 0.48
NPC1 O15118 3/20 0.47
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
XBP1 P17861 1/20 0.47
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47

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
SCHEMBL846559 1.00 TRPV1 (0.54) TRPV1RAB9ALMNAPOLBTSHR
SCHEMBL846062 0.89 TRPV1 (0.67) TRPV1RAB9ALMNAPOLBKDM4E
SCHEMBL846063 0.89 TRPV1 (0.67) TRPV1RAB9ALMNAPOLBKDM4E
SCHEMBL845482 0.87 TRPV1 (0.53) TRPV1RAB9ALMNAPOLBTSHR
SCHEMBL845481 0.87 TRPV1 (0.53) TRPV1RAB9ALMNAPOLBTSHR
SCHEMBL846432 0.85 MAOB (0.59) TRPV1RAB9ALMNAKDM4EMAPT
SCHEMBL846433 0.85 MAOB (0.59) TRPV1RAB9ALMNAKDM4EMAPT
SCHEMBL13991503 0.83 RAB9A (0.65) RAB9ALMNAPOLBTSHRHSD17B10
SCHEMBL16101601 0.83 KDR (0.60) RAB9ALMNAPOLBKDM4EMAPT
SCHEMBL13991500 0.83 KDR (0.60) RAB9ALMNAPOLBKDM4EMAPT

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-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed