SCHEMBL9546594

SCHEMBL9546594

CC(C)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC(N(C)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.41
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.36
CMA1 P23946 4/20 0.36
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
APP P05067 1/20 0.36
CTSL P07711 2/20 0.35
KLK5 Q9Y337 1/20 0.35
MEN1 O00255 1/20 0.35
CTRC Q99895 2/20 0.34

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
SCHEMBL9546612 1.00 CCR1 (0.41) CCR1KMT2AMAPK1CMA1PSEN1
SCHEMBL9546602 1.00 CCR1 (0.41) CCR1KMT2AMAPK1CMA1PSEN1
SCHEMBL9546535 0.95 KMT2A (0.43) CCR1KMT2AMAPK1CMA1PSEN1
SCHEMBL9546541 0.95 KMT2A (0.43) CCR1KMT2AMAPK1CMA1PSEN1
SCHEMBL9546777 0.90 PSEN1 (0.46) CCR1KMT2AMAPK1CMA1PSEN1
SCHEMBL9546787 0.90 PSEN1 (0.46) CCR1KMT2AMAPK1CMA1PSEN1
SCHEMBL9546771 0.90 PSEN1 (0.46) CCR1KMT2AMAPK1CMA1PSEN1
SCHEMBL9546765 0.90 PSEN1 (0.46) CCR1KMT2AMAPK1CMA1PSEN1
SCHEMBL9546786 0.89 P2RX7 (0.41) CCR1KMT2AMAPK1CMA1PSEN1
SCHEMBL9546791 0.89 P2RX7 (0.41) CCR1KMT2AMAPK1CMA1PSEN1

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