SCHEMBL9546667

SCHEMBL9546667

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.43
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
REN P00797 1/20 0.39
APP P05067 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ECE1 P42892 4/20 0.38
KLK5 Q9Y337 1/20 0.38
BACE1 P56817 4/20 0.38
MME P08473 3/20 0.38
CTSK P43235 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL9546658 1.00 CCR1 (0.43) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546676 1.00 CCR1 (0.43) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546547 0.95 CCR1 (0.43) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546557 0.95 CCR1 (0.43) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546563 0.95 CCR1 (0.43) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546577 0.90 PSEN1 (0.51) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546554 0.90 PSEN1 (0.51) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546584 0.90 PSEN1 (0.51) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546570 0.90 PSEN1 (0.51) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546699 0.89 CCR1 (0.43) CCR1PSEN1PSEN2APH1BNCSTN

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