SCHEMBL8716875

SCHEMBL8716875

CN(C(=O)OC(C)(C)C)C1CCN(C(=N)N)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
GPR119 Q8TDV5 6/20 0.39
USP30 Q70CQ3 2/20 0.39
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
SPR P35270 5/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 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
SCHEMBL29133796 0.83 HSD11B1 (0.54) HSD11B1GPR119USP30KDM4DSPR
SCHEMBL26666679 0.83 HSD11B1 (0.54) HSD11B1GPR119USP30KDM4DSPR
SCHEMBL24684941 0.82 HSD11B1 (0.56) HSD11B1GPR119USP30KDM4DSPR
SCHEMBL5845677 0.80 HSD11B1 (0.58) HSD11B1GPR119USP30KDM4DSPR
SCHEMBL8912028 0.80 HSD11B1 (0.50) HSD11B1USP30KDM4DSPR
SCHEMBL2053864 0.79 HSD11B1 (0.47) HSD11B1GPR119USP30KDM4D
SCHEMBL190837 0.79 HSD11B1 (0.47) HSD11B1GPR119USP30KDM4D
SCHEMBL27313904 0.78 HSD11B1 (0.50) HSD11B1GPR119USP30KDM4DSPR
SCHEMBL13738053 0.78 HSD11B1 (0.62) HSD11B1USP30KDM4DSPR
SCHEMBL21285788 0.78 HSD11B1 (0.69) HSD11B1GPR119USP30SPRHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed