SCHEMBL4735430

SCHEMBL4735430

CCCc1ccc(S(=O)(=O)n2c(=O)n(C3CCN(C(=O)O)CC3)c3ccccc32)cc1.O=C(O)N1CCC(n2c(=O)n(S(=O)(=O)c3ccc(F)cc3)c3ccccc32)C[C@@H]1CCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 3/20 0.35
▸ CACNA1H O95180 3/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ TMEM97 Q5BJF2 2/20 0.34
▸ GPR183 P32249 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ AGTR2 P50052 3/20 0.31
▸ FKBP1A P62942 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL3808537 0.94 CACNA1G (0.34) CACNA1GCACNA1HFKBP1ARXFP1
SCHEMBL3671643 0.91 CHRM5 (0.39) KDM4ELMNAGAA
SCHEMBL3665443 0.91 RXFP1 (0.36) CACNA1GCACNA1HL3MBTL1FKBP1ARXFP1
SCHEMBL4800257 0.87 OPRL1 (0.36) CACNA1GCACNA1HOPRM1
SCHEMBL3665336 0.86 CHRM5 (0.36) CACNA1GCACNA1H
SCHEMBL3667342 0.86 CHRM1 (0.34) CACNA1GCACNA1HOPRM1RXFP1KDM4E
SCHEMBL4737981 0.84 CACNA1G (0.33) CACNA1GCACNA1H
SCHEMBL3665332 0.81 POLB (0.35) CACNA1GCACNA1HOPRM1AGTR2
SCHEMBL3669383 0.80 CYP3A4 (0.37) CACNA1GCACNA1HLMNAGAA
SCHEMBL3806319 0.79 CHRM5 (0.36) KDM4E

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-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 — — EP claimed
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