SCHEMBL23893541

SCHEMBL23893541

CNCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.36
ITGB3 P05106 9/20 0.36
ITGA2B P08514 9/20 0.36
CALCRL Q16602 1/20 0.35
CTSK P43235 3/20 0.34
HPGD P15428 1/20 0.34
CYP2D6 P10635 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL13030795 0.90 CTSK (0.35) P2RY12ITGB3ITGA2BCALCRLCTSK
SCHEMBL14580885 0.87 CTSK (0.38) P2RY12ITGB3ITGA2BCALCRLCTSK
SCHEMBL7298353 0.84 CYP2D6 (0.46) ITGB3ITGA2BCALCRLCTSKCYP2D6
SCHEMBL24822362 0.84 HPGD (0.38) ITGB3ITGA2BCTSKHPGDCYP2D6
SCHEMBL23879097 0.84 HPGD (0.38) ITGB3ITGA2BCTSKHPGDCYP2D6
SCHEMBL26013230 0.80 HPGD (0.38) ITGB3ITGA2BCTSKHPGDCYP2D6
SCHEMBL26010069 0.80 CTSK (0.41) ITGB3ITGA2BCALCRLCTSKCYP2D6
SCHEMBL24733603 0.76 HPGD (0.33) CTSKHPGDCYP2D6CTSLCTSB
SCHEMBL8717338 0.74 ITGB3 (0.54) ITGB3ITGA2BCALCRLCTSKCTSL
SCHEMBL25186364 0.74 ITGB3 (0.54) ITGB3ITGA2BCALCRLCTSKCTSL

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
EP-3889164-A1 DEPROTECTION METHOD AND RESIN REMOVAL METHOD IN SOLID-PHASE REACTION FOR PEPTIDE COMPOUND OR AMIDE COMPOUND, AND METHOD FOR PRODUCING PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-06 EP disclosed