SCHEMBL10217079

SCHEMBL10217079

Cc1csc([C@@]2(O)CN[C@H](C=O)C2)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
EPHX2 P34913 1/20 0.32
SSTR4 P31391 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
RAB9A P51151 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL23232310 0.68 SMN1; SMN2 (0.38) CNR2EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL12166403 0.67 CHRM2 (0.42) RAB9AGAAHPGD
SCHEMBL14947616 0.67 SLC6A2 (0.32) CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL2481307 0.66 L3MBTL1 (0.36) CNR2EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL14950736 0.65 KDM4E (0.35) CNR2EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL15349095 0.64 CNR2 (0.36) CNR2SLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL2507068 0.61 HPGD (0.36) SLC6A2SLC6A4SLC6A3RAB9AHPGD
SCHEMBL697727 0.59 TP53 (0.42) CNR2EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL17726044 0.57
SCHEMBL5376501 0.57 SMN1; SMN2 (0.40) CNR2SLC6A2SLC6A4SLC6A3RAB9A

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-2086995-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-22 EP disclosed