Sugi Predict

Sugi Predict / Compounds / SCHEMBL4398366

SCHEMBL4398366

SCHEMBL4398366

CCCCNC(=O)NC.O=C(O)C1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 6/20 0.60
▸ CASP3 P42574 6/20 0.60
▸ CASP9 P55211 6/20 0.60
▸ CYCS P99999 6/20 0.60
▸ ACHE P22303 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ P2RX7 Q99572 11/20 0.38
▸ CCR5 P51681 1/20 0.38

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
SCHEMBL4394060 0.88 APAF1 (0.75) APAF1CASP3CASP9CYCSACHE
SCHEMBL4398363 0.87 APAF1 (0.60) APAF1CASP3CASP9CYCSACHE
SCHEMBL4395698 0.80 APAF1 (0.69) APAF1CASP3CASP9CYCSACHE
SCHEMBL4398368 0.80 APAF1 (0.87) APAF1CASP3CASP9CYCSACHE
SCHEMBL4394055 0.79 APAF1 (0.67) APAF1CASP3CASP9CYCSACHE
SCHEMBL4397286 0.76 APAF1 (0.90) APAF1CASP3CASP9CYCSACHE
SCHEMBL4388693 0.75 APAF1 (1.00) APAF1CASP3CASP9CYCSACHE
SCHEMBL4395693 0.75 APAF1 (0.79) APAF1CASP3CASP9CYCSACHE
SCHEMBL4394053 0.73 APAF1 (0.77) APAF1CASP3CASP9CYCSACHE
SCHEMBL5955953 0.73 APAF1 (0.69) APAF1CASP3CASP9CYCSACHE

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-1963357-B1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS SALVAT LAB SA (ES) 2009-12-09 — — EP disclosed