SCHEMBL17049447

SCHEMBL17049447

CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(Cl)cc(Cl)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 10/20 0.57
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL10248751 0.83 MEN1 (0.54) STSMEN1KMT2AMAPTGPR119
SCHEMBL31043013 0.80 STS (0.53) STSPTPN2PTPN1PTPN6HPGD
SCHEMBL23165969 0.77 STS (0.46) STSPTPN2PTPN1PTPN6HPGD
SCHEMBL13390978 0.77 STS (0.61) STSPTPN2PTPN1PTPN6HPGD
SCHEMBL15534854 0.76 KDM4E (0.54) STSHPGDMEN1USP2KMT2A
SCHEMBL473345 0.76 STS (0.67) STSMEN1KMT2A
SCHEMBL26967674 0.76 STS (0.49) STSHPGDMEN1USP2KMT2A
SCHEMBL21605851 0.75 GPR119 (0.55) STSPTPN2PTPN1PTPN6HPGD
SCHEMBL31462554 0.75 STS (0.58) STSPTPN2PTPN1PTPN6HPGD
SCHEMBL5705838 0.75 STS (0.58) STSPTPN2PTPN1PTPN6HPGD

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
US-9120752-B2 Pyridine compounds as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-09-01 US disclosed
US-9120752-B2 Pyridine compounds as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-09-01 US disclosed