SCHEMBL17001995

SCHEMBL17001995

COC(=O)C1CCCN1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
HCAR1 Q9BXC0 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FPR2 P25090 1/20 0.40
STS P08842 1/20 0.40

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
SCHEMBL17001789 1.00 EPHX1 (0.49) EPHX1HPGDHSD17B10ALDH1A1RECQL
SCHEMBL31040357 0.96 EPHX1 (0.51) EPHX1HPGDHSD17B10ALDH1A1RECQL
SCHEMBL20310655 0.85 EPHX1 (0.48) EPHX1HPGDHSD17B10ALDH1A1RECQL
SCHEMBL17001716 0.85 EPHX1 (0.48) EPHX1HPGDHSD17B10ALDH1A1RECQL
SCHEMBL21981304 0.85 EPHX1 (0.41) EPHX1HPGDHSD17B10ALDH1A1GPR119
SCHEMBL31633849 0.85 NR1H2 (0.48) EPHX1HPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL19273232 0.82 HPGD (0.52) EPHX1HPGDHSD17B10RECQLPTPN2
SCHEMBL18923615 0.82 HPGD (0.52) EPHX1HPGDHSD17B10RECQLPTPN2
SCHEMBL19946958 0.82 EPHX1 (0.42) EPHX1HPGDHSD17B10ALDH1A1RECQL
SCHEMBL19946959 0.82 EPHX1 (0.42) EPHX1HPGDHSD17B10ALDH1A1RECQL

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
WO-2015118342-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LIMITED (GB) 2015-08-13 WO disclosed