SCHEMBL9546547

SCHEMBL9546547

CC(C)[C@H](NC(=O)C(Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H](C)C(N)=O)C(=O)N1CCC(N(C)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.43
APP P05067 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ECE1 P42892 4/20 0.42
REN P00797 1/20 0.39
BACE1 P56817 6/20 0.38
CTSD P07339 3/20 0.38
CTSE P14091 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
MME P08473 3/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL9546557 1.00 CCR1 (0.43) CCR1APPPSEN1PSEN2APH1B
SCHEMBL9546563 1.00 CCR1 (0.43) CCR1APPPSEN1PSEN2APH1B
SCHEMBL9546658 0.95 CCR1 (0.43) CCR1APPPSEN1PSEN2APH1B
SCHEMBL9546667 0.95 CCR1 (0.43) CCR1APPPSEN1PSEN2APH1B
SCHEMBL9546676 0.95 CCR1 (0.43) CCR1APPPSEN1PSEN2APH1B
SCHEMBL9546554 0.90 PSEN1 (0.51) CCR1APPPSEN1PSEN2APH1B
SCHEMBL9546584 0.90 PSEN1 (0.51) CCR1APPPSEN1PSEN2APH1B
SCHEMBL9546577 0.90 PSEN1 (0.51) CCR1APPPSEN1PSEN2APH1B
SCHEMBL9546570 0.90 PSEN1 (0.51) CCR1APPPSEN1PSEN2APH1B
SCHEMBL9546699 0.90 CCR1 (0.43) CCR1APPPSEN1PSEN2APH1B

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
WO-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed