SCHEMBL12666702

SCHEMBL12666702

O=C(NCCO)c1ccc(CF)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3c2)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.54
SCN9A Q15858 7/20 0.45
MAPK3 P27361 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
DYRK3 O43781 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
STK17A Q9UEE5 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL1862099 0.90 TRPV1 (0.63) TRPV1SCN9AMAPK3GPR52
SCHEMBL12666836 0.90 TRPV1 (0.56) TRPV1SCN9AMAPK3DYRK3GSK3A
SCHEMBL12666699 0.90 SCN9A (0.41) TRPV1SCN9AGSK3AGSK3B
SCHEMBL12666001 0.89 TRPV1 (0.58) TRPV1MAPK3DYRK3GSK3AGSK3B
SCHEMBL12666695 0.87 TRPV1 (0.54) TRPV1MAPK3GPR52DYRK3GSK3A
SCHEMBL12666840 0.86 TRPV1 (0.55) TRPV1MAPK3DYRK3GSK3AGSK3B
SCHEMBL12666839 0.85 TRPV1 (0.57) TRPV1SCN9AMAPK3
SCHEMBL1858243 0.82 TRPV1 (0.63) TRPV1MAPK3GPR52DYRK3GSK3A
SCHEMBL12665999 0.80 TRPV1 (0.43) TRPV1SCN9ADYRK3GSK3AGSK3B
SCHEMBL12667077 0.80 TRPV1 (0.56) TRPV1SCN9AMAPK3GPR52

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
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed