SCHEMBL4301769

SCHEMBL4301769

CCOC(=O)N1CCN(c2nc(C(F)(F)F)nc3ccc(C(=O)N(CC)c4cc(C)c(NS(C)(=O)=O)cc4F)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 8/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 5/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
USP2 O75604 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL1284900 0.83 HSD17B10 (0.46) HSD17B10TSHRNPSR1HTTKDM4E
SCHEMBL4556599 0.78 HSD17B10 (0.46) HSD17B10TSHRNPSR1HTTKDM4E
SCHEMBL4556598 0.78 HSD17B10 (0.46) HSD17B10TSHRNPSR1HTTKDM4E
SCHEMBL1688404 0.76 HSD17B10 (0.60) HSD17B10TSHRNPSR1HTTKDM4E
SCHEMBL1644313 0.76 HSD17B10 (0.62) HSD17B10TSHRNPSR1HTTKDM4E
SCHEMBL1285378 0.71 TRPV1 (0.40) MAPTTP53SMN1; SMN2
SCHEMBL1284992 0.70 TRPV1 (0.41) TSHRKDM4ELMNACYP1A2CYP3A4
SCHEMBL1284988 0.69 LPAR2 (0.41) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL1285086 0.69 TRPV1 (0.39) MAPTLMNA
SCHEMBL1284963 0.68 TRPV1 (0.50)

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-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed