SCHEMBL20040241

SCHEMBL20040241

CC1C2CCCC2CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
NR1H2 P55055 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HPGD P15428 1/20 0.37
PREP P48147 2/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H3 Q13133 1/20 0.35
RECQL P46063 1/20 0.35
EPHX1 P07099 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
SCHEMBL14870489 1.00 HSD17B10 (0.38) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL4302765 0.84 CHRM2 (0.41) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL30516973 0.84 CHRM2 (0.41) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL21554858 0.82 NR1H2 (0.44) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL497157 0.82 NR1H2 (0.46) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL15184282 0.82 HSD17B10 (0.42) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL15184287 0.82 NR1H2 (0.46) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL6346470 0.82 HSD17B10 (0.42) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL15247679 0.82 PREP (0.38) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL2328258 0.82 HSD17B10 (0.42) HSD17B10NR1H2CHRM2CHRM1CHRM3

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-2811997-B1 SUBSTITUTED PROLINES/PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS INC (US) 2018-04-11 EP disclosed