SCHEMBL6384530

SCHEMBL6384530

CCCCC(CC)c1ccc(CCC(=O)Nc2cnc3ccccc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HDAC1 Q13547 7/20 0.53
HDAC2 Q92769 7/20 0.53
HDAC6 Q9UBN7 7/20 0.53
HDAC3 O15379 6/20 0.53
HDAC10 Q969S8 6/20 0.53
HDAC4 P56524 5/20 0.53
HDAC7 Q8WUI4 5/20 0.53
HDAC11 Q96DB2 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC9 Q9UKV0 5/20 0.53
HDAC5 Q9UQL6 5/20 0.53
NOTUM Q6P988 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL846837 0.93 TRPV1 (0.56) TRPV1MEN1KMT2AHDAC1HDAC2
SCHEMBL846167 0.89 TRPV1 (0.59) TRPV1MEN1KMT2AHDAC1HDAC2
SCHEMBL1577038 0.87 TRPV1 (0.76) TRPV1MEN1KMT2AHDAC1HDAC2
SCHEMBL846784 0.86 MEN1 (0.61) TRPV1MEN1KMT2AHDAC1HDAC2
SCHEMBL846333 0.86 TRPV1 (0.74) TRPV1MEN1KMT2AHDAC1HDAC2
SCHEMBL846227 0.80 TRPV1 (0.61) TRPV1MEN1KMT2AHDAC1HDAC2
SCHEMBL13991505 0.80 MEN1 (0.67) TRPV1MEN1KMT2AHDAC1HDAC2
SCHEMBL20509078 0.80 HDAC1 (0.76) TRPV1MEN1KMT2AHDAC1HDAC2
SCHEMBL13991492 0.80 HDAC1 (0.72) TRPV1MEN1KMT2AHDAC1HDAC2
SCHEMBL845900 0.80 TRPV1 (0.72) TRPV1MEN1KMT2AHDAC1HDAC2

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-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP claimed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO claimed