SCHEMBL860046

SCHEMBL860046

CN(c1ccc(C(=O)Nc2cc3ccccc3nc2F)cc1)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.67
LMNA P02545 2/20 0.44
S1PR1 P21453 1/20 0.44
KDM4E B2RXH2 1/20 0.41
BACE1 P56817 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL846514 0.88 TRPV1 (0.68) TRPV1LMNAS1PR1KDM4EBACE1
SCHEMBL847137 0.80 TRPV1 (1.00) TRPV1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL846061 0.80 TRPV1 (1.00) TRPV1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL847641 0.79 TRPV1 (0.98) TRPV1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL860045 0.78 TRPV1 (0.48) TRPV1S1PR1BACE1MEN1NPC1
SCHEMBL847375 0.77 TRPV1 (0.58) TRPV1MAPTMEN1NPC1RAB9A
SCHEMBL846204 0.76 TRPV1 (0.64) TRPV1S1PR1KDM4EMEN1KMT2A
SCHEMBL846299 0.74 TRPV1 (0.74) TRPV1S1PR1KDM4EMAPTNPC1
SCHEMBL846980 0.73 TRPV1 (0.80) TRPV1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL846665 0.71 TRPV1 (0.72) TRPV1KDM4EMAPTNPC1RAB9A

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