Butylcyclohexane

Butylcyclohexane

SCHEMBL846898

CCCCC1CCCCC1.O=C(O)Nc1cnc2ccccc2c1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.56
RAB9A P51151 3/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
NOTUM Q6P988 1/20 0.51
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL847630 0.84 TRPV1 (0.53) TRPV1RAB9AHSD17B10POLBLMNA
SCHEMBL846245 0.83 TRPV1 (0.56) TRPV1RAB9AHSD17B10POLBLMNA
SCHEMBL651159 0.79 KDR (0.74) TRPV1RAB9AHSD17B10POLBLMNA
SCHEMBL10077508 0.77 TRPV1 (0.54) TRPV1RAB9AHSD17B10POLBLMNA
SCHEMBL846477 0.76 KDR (0.59) TRPV1RAB9AHSD17B10POLBLMNA
SCHEMBL20509078 0.74 HDAC1 (0.76) TRPV1RAB9AHSD17B10POLBLMNA
SCHEMBL846516 0.73 TRPV1 (0.65) TRPV1RAB9AHSD17B10POLBLMNA
SCHEMBL846491 0.73 TRPV1 (0.71) TRPV1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL29432899 0.72 POLB (0.61) TRPV1RAB9AHSD17B10POLBLMNA
SCHEMBL19832640 0.72 POLB (0.61) TRPV1RAB9AHSD17B10POLBLMNA

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