SCHEMBL4556599

SCHEMBL4556599

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
P2RY12 Q9H244 5/20 0.37
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
USP2 O75604 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL4556598 1.00 HSD17B10 (0.46) HSD17B10TSHRNPSR1HTTP2RY12
SCHEMBL1284900 0.95 HSD17B10 (0.46) HSD17B10TSHRNPSR1HTTP2RY12
SCHEMBL1285378 0.84 TRPV1 (0.40) TP53MAPTSMN1; SMN2
SCHEMBL1284992 0.83 TRPV1 (0.41) TSHRCYP1A2CYP3A4KDM4ELMNA
SCHEMBL1284988 0.81 LPAR2 (0.41) TSHRMEN1KMT2ATP53MAPT
SCHEMBL1285086 0.81 TRPV1 (0.39) MAPTLMNA
SCHEMBL1284963 0.80 TRPV1 (0.50)
SCHEMBL1285040 0.79 TRPV1 (0.43) HSD17B10TSHRNPSR1KDM4E
SCHEMBL4301769 0.78 HSD17B10 (0.46) HSD17B10TSHRNPSR1HTTP2RY12
SCHEMBL1688404 0.76 HSD17B10 (0.60) HSD17B10TSHRNPSR1HTTP2RY12

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 disclosed
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 disclosed