SCHEMBL3666586

SCHEMBL3666586

CC(C)(C)OC(=O)NCCn1c(=O)n(C2CCN(C(=O)O)C(CCCN(Cc3ccccc3)Cc3ccccc3)C2)c2ccccc21.C[C@@H](COC(=O)N1CCC([C@@H]2CCC(=O)c3cccc4[nH]c(=O)n2c34)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 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
SCHEMBL4784349 0.81 CCR5 (0.40) CCR5
SCHEMBL3639554 0.77 CACNA1G (0.42) —
SCHEMBL3751856 0.77 CACNA1G (0.42) —
SCHEMBL3669392 0.77 CHRM2 (0.41) —
SCHEMBL3667025 0.73 CACNA1G (0.36) —
SCHEMBL3670916 0.71 CHRM2 (0.38) —
SCHEMBL13980393 0.71 CACNA1G (0.44) —
SCHEMBL3749278 0.70 CACNA1G (0.41) —
SCHEMBL3744564 0.70 CACNA1G (0.41) —
SCHEMBL3749275 0.70 CACNA1G (0.41) —

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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