SCHEMBL20328479

SCHEMBL20328479

CC(I)(I)c1cccc(S(=O)(=O)N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GPR119 Q8TDV5 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
SCHEMBL14815848 0.93 MCHR1 (0.35) SCN3AKDM4ECNR1L3MBTL1NR1H2
SCHEMBL15462425 0.93 MCHR1 (0.35) SCN3AKDM4ECNR1L3MBTL1NR1H2
SCHEMBL14816060 0.92 SCN3A (0.37) SCN3AKDM4ECNR1L3MBTL1HTR6
SCHEMBL15462540 0.92 SCN3A (0.37) SCN3AKDM4ECNR1L3MBTL1HTR6
SCHEMBL14815759 0.90 KDM4E (0.43) SCN3AKDM4ECNR1L3MBTL1GAA
SCHEMBL14816159 0.90 KDM4E (0.43) SCN3AKDM4ECNR1L3MBTL1GAA
SCHEMBL14816165 0.90 KDM4E (0.43) SCN3AKDM4ECNR1L3MBTL1GAA
SCHEMBL14815957 0.90 KDM4E (0.43) SCN3AKDM4ECNR1L3MBTL1GAA
SCHEMBL15462432 0.87 GRM5 (0.38) NR1H2NR1H3OPRM1OPRD1NAAA
SCHEMBL14816018 0.87 GRM5 (0.38) NR1H2NR1H3OPRM1OPRD1NAAA

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
WO-2018118101-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2018-06-28 — — WO disclosed
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