SCHEMBL847392

SCHEMBL847392

O=C(Cc1ccc(NCC2CCCCC2)cc1)Nc1cnc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.53
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
NOTUM Q6P988 1/20 0.47
POLB P06746 3/20 0.46

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
SCHEMBL846356 0.90 MEN1 (0.54) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL846060 0.85 TRPV1 (0.72) TRPV1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL847005 0.85 TRPV1 (0.72) TRPV1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL847493 0.84 TRPV1 (0.70) TRPV1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL846737 0.81 TRPV1 (0.50) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL847391 0.81 TRPV1 (0.73) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28188767 0.80 HDAC1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL847627 0.80 TRPV1 (0.62) TRPV1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL845816 0.79 KDR (0.56) TRPV1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL845852 0.78 MEN1 (0.57) TRPV1HDAC3HDAC4HDAC1HDAC7

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