SCHEMBL9546695

SCHEMBL9546695

CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)C[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC(N(C)C(=O)OC(=O)c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
CCR1 P32246 11/20 0.38
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
REN P00797 1/20 0.36

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
SCHEMBL9546664 1.00 OPRD1 (0.39) OPRD1CCR1KCNH2KMT2AMEN1
SCHEMBL9546674 1.00 OPRD1 (0.39) OPRD1CCR1KCNH2KMT2AMEN1
SCHEMBL9546684 1.00 OPRD1 (0.39) OPRD1CCR1KCNH2KMT2AMEN1
SCHEMBL9546547 0.79 CCR1 (0.43) CCR1REN
SCHEMBL9546563 0.79 CCR1 (0.43) CCR1REN
SCHEMBL9546557 0.79 CCR1 (0.43) CCR1REN
SCHEMBL9546577 0.77 PSEN1 (0.51) CCR1KMT2AREN
SCHEMBL9546554 0.77 PSEN1 (0.51) CCR1KMT2AREN
SCHEMBL9546584 0.77 PSEN1 (0.51) CCR1KMT2AREN
SCHEMBL9546570 0.77 PSEN1 (0.51) CCR1KMT2AREN

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