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SCHEMBL17652467

SCHEMBL17652467

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNC(=O)CCCCCNCCCCCCNCCCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]31)O[C@H]2n1cnc2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 1/20 0.62
▸ HLCS P50747 3/20 0.55
▸ PI4KA P42356 1/20 0.48
▸ PI4K2B Q8TCG2 1/20 0.48
▸ PI4K2A Q9BTU6 1/20 0.48
▸ PI4KB Q9UBF8 1/20 0.48

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
SCHEMBL17666101 0.97 HINT1 (0.62) HINT1HLCSPI4KAPI4K2BPI4K2A
SCHEMBL30595941 0.97 HINT1 (0.62) HINT1HLCSPI4KAPI4K2BPI4K2A
SCHEMBL17652445 0.89 HINT1 (0.77) HINT1HLCS
SCHEMBL20807111 0.87 HINT1 (0.51) HINT1HLCS
SCHEMBL17666086 0.86 HINT1 (0.77) HINT1HLCS
SCHEMBL14361007 0.85 HLCS (0.62) HINT1HLCSPI4KAPI4K2BPI4K2A
SCHEMBL17740817 0.82 HINT1 (0.53) HINT1HLCS
SCHEMBL28648559 0.82 HINT1 (0.75) HINT1HLCS
SCHEMBL20191408 0.81 HINT1 (0.56) HINT1HLCS
SCHEMBL16142781 0.79 HLCS (0.53) HINT1HLCSPI4KAPI4K2BPI4K2A

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-3201235-A1 ANTIBODIES TO TICAGRELOR AND METHODS OF USE Medimmune Limited (GB) 2017-08-09 — — EP disclosed
WO-2016050867-A1 ANTIBODIES TO TICAGRELOR AND METHODS OF USE MEDIMMUNE LIMITED (GB) 2016-04-07 — — WO disclosed