SCHEMBL20054317

SCHEMBL20054317

CC1C[C@@H](F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
TSHR P16473 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HSD11B1 P28845 1/20 0.39
DPP4 P27487 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL20221694 1.00 NR1H2 (0.41) NR1H2TSHRCHRM2CHRM1CHRM3
SCHEMBL16994161 1.00 NR1H2 (0.41) NR1H2TSHRCHRM2CHRM1CHRM3
SCHEMBL20811182 1.00 NR1H2 (0.41) NR1H2TSHRCHRM2CHRM1CHRM3
SCHEMBL16994173 1.00 NR1H2 (0.41) NR1H2TSHRCHRM2CHRM1CHRM3
SCHEMBL15116890 1.00 NR1H2 (0.41) NR1H2TSHRCHRM2CHRM1CHRM3
SCHEMBL2542298 1.00 NR1H2 (0.41) NR1H2TSHRCHRM2CHRM1CHRM3
SCHEMBL17711418 0.85 CHRM2 (0.42) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL17711417 0.85 CHRM2 (0.42) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL527701 0.83 TSHR (0.56) NR1H2TSHRCHRM2CHRM1CHRM3
SCHEMBL344752 0.83 TSHR (0.56) NR1H2TSHRCHRM2CHRM1CHRM3

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-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed