SCHEMBL4734750

SCHEMBL4734750

O=C(O)N1CCC(n2c(=O)n(-c3ccccc3)c3ccccc32)C[C@@H]1CCCN(Cc1ccccc1)Cc1ccccc1.O=C(O)N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.37
▸ CACNA1G O43497 2/20 0.35
▸ CACNA1H O95180 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ OPRL1 P41146 7/20 0.32
▸ OPRM1 P35372 5/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ BLK P51451 2/20 0.32
▸ LYN P07948 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ BTK Q06187 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
SCHEMBL4675598 0.83 CYP3A4 (0.40) DPP7CACNA1GCACNA1HDRD2DRD4
SCHEMBL4681959 0.82 OPRL1 (0.44) CACNA1GCACNA1HOPRL1OPRM1OPRD1
SCHEMBL3398375 0.81 CACNA1G (0.35) DPP7CACNA1GCACNA1HDPP8DPP9
SCHEMBL3665332 0.80 POLB (0.35) DPP7CACNA1GCACNA1HOPRL1OPRM1
SCHEMBL3799851 0.79 OPRL1 (0.42) CACNA1GCACNA1HOPRL1OPRM1OPRK1
SCHEMBL3665336 0.79 CHRM5 (0.36) DPP7CACNA1GCACNA1HDPP8DPP9
SCHEMBL4730149 0.79 HSD11B1 (0.41) CACNA1GCACNA1HDRD2DRD4DRD3
SCHEMBL3808537 0.77 CACNA1G (0.34) CACNA1GCACNA1HDRD2CYP3A4CYP2D6
SCHEMBL1835272 0.77 OPRM1 (0.50) DRD2DRD4DRD3OPRL1OPRM1
SCHEMBL4676164 0.77 HSD11B1 (0.44) MEN1ALDH1A1KMT2A

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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