SCHEMBL847682

SCHEMBL847682

CN(C(=O)C1CCCCC1)c1ccc(C(=O)Nc2ccnc3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.55
S1PR3 Q99500 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
DNMT1 P26358 3/20 0.49
DNMT3A Q9Y6K1 2/20 0.49
DNMT3L Q9UJW3 1/20 0.49
MEN1 O00255 2/20 0.47
PABPC1 P11940 2/20 0.47
KMT2A Q03164 2/20 0.47
EIF4H Q15056 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ITK Q08881 5/20 0.46
AURKA O14965 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
PRKCG P05129 1/20 0.46
PHKG2 P15735 1/20 0.46
MARK3 P27448 1/20 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
SCHEMBL847681 0.80 DNMT1 (0.55) S1PR1S1PR3HTR2CHTR2BDNMT1
SCHEMBL846054 0.78 TRPV1 (0.74) TRPV1
SCHEMBL11938472 0.71 PKM (0.47) ITKAURKAMAP4K4CHEK2PRKCG
SCHEMBL846204 0.71 TRPV1 (0.64) S1PR1S1PR3MEN1PABPC1KMT2A
SCHEMBL3037483 0.71 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL8819827 0.70 PKM (0.59) MEN1KMT2AACHE
SCHEMBL5274067 0.69 SRD5A2 (0.53) MEN1KMT2AITKAURKAMAP4K4
SCHEMBL6911011 0.68 MEN1 (0.59) MEN1PABPC1KMT2AEIF4HHDAC6
SCHEMBL12240483 0.68 DNMT1 (0.71) S1PR1S1PR3HTR2CHTR2BDNMT1
SCHEMBL1749860 0.68 SRD5A2 (0.50) MEN1KMT2AITKAURKAMAP4K4

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