SCHEMBL4674544

SCHEMBL4674544

CC(C[C@H]1CC(n2c(=O)n(C(=O)c3ccccc3)c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 1/20 0.36
▸ C5AR1 P21730 1/20 0.34
▸ CACNA1G O43497 2/20 0.33
▸ CACNA1H O95180 2/20 0.33
▸ OPRL1 P41146 5/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ OPRM1 P35372 3/20 0.33
▸ OPRD1 P41143 3/20 0.33
▸ AGTR2 P50052 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ OPRK1 P41145 2/20 0.32
▸ ABCB1 P08183 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
SCHEMBL4674540 1.00 HTR4 (0.36) HTR4C5AR1CACNA1GCACNA1HOPRL1
SCHEMBL4675602 0.87 CYP3A4 (0.41) HTR4C5AR1CACNA1GCACNA1HOPRL1
SCHEMBL4674536 0.83 PTGDR2 (0.35) HTR4C5AR1CACNA1GCACNA1HOPRL1
SCHEMBL3398375 0.82 CACNA1G (0.35) HTR4C5AR1CACNA1GCACNA1HHSD11B1
SCHEMBL4681962 0.82 OPRL1 (0.46) C5AR1CACNA1GCACNA1HOPRL1OPRM1
SCHEMBL4681961 0.82 OPRL1 (0.46) C5AR1CACNA1GCACNA1HOPRL1OPRM1
SCHEMBL4676172 0.80 HSD11B1 (0.46) HSD11B1
SCHEMBL4677810 0.80 OPRM1 (0.50) OPRL1HSD11B1OPRM1OPRK1
SCHEMBL4677814 0.80 OPRM1 (0.50) OPRL1HSD11B1OPRM1OPRK1
SCHEMBL4676169 0.80 HSD11B1 (0.46) HSD11B1

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 disclosed
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