SCHEMBL30525664

SCHEMBL30525664

CC(C)(C)OC(=O)N1CC(NS(=O)(=O)CF)C2(CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
STS P08842 3/20 0.35
GPR119 Q8TDV5 2/20 0.34
EPHX2 P34913 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
RORC P51449 3/20 0.32
SCN9A Q15858 1/20 0.32
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
NAMPT P43490 1/20 0.32
EPHX1 P07099 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL30955006 0.88 NR1H2 (0.38) NR1H2STSEPHX2MMP1MMP3
SCHEMBL31287199 0.83 EPHX1 (0.34) NR1H2STSEPHX2RORCEPHX1
SCHEMBL25387176 0.79
SCHEMBL31722227 0.79 PIK3CD (0.39) NR1H2STSGPR119EPHX2MMP1
SCHEMBL38650921 0.79 PIK3CD (0.39) NR1H2STSGPR119EPHX2MMP1
SCHEMBL30954989 0.79 PIK3CD (0.39) NR1H2STSGPR119EPHX2MMP1
SCHEMBL31209707 0.77 EPHX1 (0.39) NR1H2EPHX2RORCEPHX1USP2
SCHEMBL31209512 0.77 EPHX1 (0.39) NR1H2EPHX2RORCEPHX1USP2
SCHEMBL17107692 0.74 EPHX1 (0.39) NR1H2EPHX2RORCDDB1CRBN
SCHEMBL31209428 0.73 EPHX2 (0.38) NR1H2EPHX2RORCDDB1CRBN

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
CN-116583502-A Bicyclic-heterocyclic derivatives and their use as orexin-2 receptor agonists 欧瑞夏治疗有限公司 2023-08-11 CN disclosed