SCHEMBL3811734

SCHEMBL3811734

CC(C)(C)OC(=O)NCCn1c(=O)n(C2CCN(C(=O)O)[C@H](N(Cc3ccccc3)Cc3ccccc3)C2CCCc2ccccc2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.41
▸ CACNA1G O43497 3/20 0.38
▸ CACNA1H O95180 3/20 0.38
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ OGFRL1 Q5TC84 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ PGGT1B P53609 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ DRD2 P14416 3/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ SGMS1 Q86VZ5 1/20 0.32
▸ SGMS2 Q8NHU3 1/20 0.32
▸ DRD3 P35462 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
SCHEMBL4736833 0.95 CACNA1G (0.44) SIGMAR1CACNA1GCACNA1HOPRM1OPRD1
SCHEMBL3667025 0.90 CACNA1G (0.36) SIGMAR1CACNA1GCACNA1HOPRM1OPRD1
SCHEMBL3721849 0.84 CACNA1G (0.42) CACNA1GCACNA1H
Biotin SCHEMBL3666882 0.84 CA12 (0.39) F2PRSS1
SCHEMBL3811730 0.84 SIGMAR1 (0.36) SIGMAR1CACNA1GCACNA1HOPRM1OPRD1
SCHEMBL1832947 0.82 CACNA1G (0.38) CACNA1GCACNA1HOPRM1
SCHEMBL4681520 0.75 CHRM5 (0.38) CACNA1GCACNA1HKCNH2
SCHEMBL3811749 0.74 CACNA1G (0.42) SIGMAR1CACNA1GCACNA1HOPRM1OPRD1
SCHEMBL3811745 0.74 CACNA1G (0.42) SIGMAR1CACNA1GCACNA1HOPRM1OPRD1
SCHEMBL3398324 0.73 OPRK1 (0.43) OPRM1OPRK1KCNH2DRD2DRD3

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
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 — — EP claimed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 — — WO claimed
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