SCHEMBL23044952

SCHEMBL23044952

Cc1nc(N2CC(OS(C)(=O)=O)C2)ccc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ FPR2 P25090 2/20 0.33
▸ PROKR1 Q8TCW9 2/20 0.33
▸ PDE10A Q9Y233 3/20 0.32
▸ EIF2AK4 Q9P2K8 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ CACNA2D1 P54289 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CACNA2D2 Q9NY47 1/20 0.32
▸ GPR119 Q8TDV5 3/20 0.31
▸ ACACB O00763 2/20 0.31
▸ MBOAT4 Q96T53 1/20 0.31
▸ METAP2 P50579 1/20 0.31

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
SCHEMBL30932107 1.00 HCRTR1 (0.33) HCRTR1HCRTR2FPR2PROKR1PDE10A
SCHEMBL23044963 0.82 PDE10A (0.38) HCRTR1HCRTR2PDE10AEIF2AK4METAP2
SCHEMBL30932098 0.82 PDE10A (0.38) HCRTR1HCRTR2PDE10AEIF2AK4METAP2
SCHEMBL23044954 0.79 HCRTR1 (0.34) HCRTR1HCRTR2PDE10A
SCHEMBL23044984 0.77 MCHR1 (0.33) HCRTR1HCRTR2FPR2PROKR1PDE10A
SCHEMBL30932100 0.74 CNR2 (0.39) PDE10ACACNA2D1CACNA2D2
SCHEMBL22480003 0.71 PPARD (0.43) FPR2PROKR1NR1H2NR1H3
SCHEMBL17559324 0.70 GPR119 (0.48) PDE10AGPR119ACACB
SCHEMBL2264016 0.67 HTT (0.55) KCNH2
SCHEMBL22152251 0.66 GPR119 (0.49) PDE10AGPR119

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
WO-2021036953-A1 PHENYLPYRROLIDINE COMPOUND 湖北生物医药产业技术研究院有限公司 2021-03-04 — — WO disclosed
WO-2021036953-A1 PHENYLPYRROLIDINE COMPOUND 湖北生物医药产业技术研究院有限公司 2021-03-04 — — WO disclosed
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