SCHEMBL9546552

SCHEMBL9546552

CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC(F)(F)F)cc2)C[C@H](O)[C@@H](N)Cc2ccccc2)C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
CCR1 P32246 1/20 0.39
REN P00797 1/20 0.39
HTR2A P28223 6/20 0.39
P2RX7 Q99572 1/20 0.39
EPHX2 P34913 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
SCHEMBL9546537 0.90 PSEN1 (0.44) CCR5RENP2RX7
SCHEMBL9546814 0.89 CCR5 (0.39) CCR5UBE2MDCUN1D1CCR1REN
SCHEMBL9546818 0.89 CCR5 (0.39) CCR5UBE2MDCUN1D1CCR1REN
SCHEMBL9546622 0.83 PSEN1 (0.49) CCR5CCR1REN
SCHEMBL9546605 0.83 PSEN1 (0.49) CCR5CCR1REN
SCHEMBL9546613 0.83 PSEN1 (0.49) CCR5CCR1REN
SCHEMBL9546598 0.83 PSEN1 (0.49) CCR5CCR1REN
SCHEMBL9546695 0.77 OPRD1 (0.39) CCR1REN
SCHEMBL9546674 0.77 OPRD1 (0.39) CCR1REN
SCHEMBL9546684 0.77 OPRD1 (0.39) CCR1REN

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