SCHEMBL4391987

SCHEMBL4391987

NC(=O)CN(CC1CCCO1)C(=O)C1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 6/20 0.77
CASP3 P42574 6/20 0.77
CASP9 P55211 6/20 0.77
CYCS P99999 6/20 0.77
CCR5 P51681 1/20 0.37
ACHE P22303 1/20 0.37
OXTR P30559 3/20 0.34
PSEN1 P49768 4/20 0.34
PSEN2 P49810 4/20 0.34
APH1B Q8WW43 4/20 0.34
NCSTN Q92542 4/20 0.34
APH1A Q96BI3 4/20 0.34
PSENEN Q9NZ42 4/20 0.34
P2RX7 Q99572 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4388693 0.87 APAF1 (1.00) APAF1CASP3CASP9CYCSCCR5
SCHEMBL3694570 0.86 APAF1 (0.78) APAF1CASP3CASP9CYCSCCR5
SCHEMBL4401180 0.85 APAF1 (0.91) APAF1CASP3CASP9CYCSCCR5
SCHEMBL4398368 0.84 APAF1 (0.87) APAF1CASP3CASP9CYCSCCR5
SCHEMBL4394053 0.84 APAF1 (0.77) APAF1CASP3CASP9CYCSCCR5
SCHEMBL4395693 0.84 APAF1 (0.79) APAF1CASP3CASP9CYCSCCR5
SCHEMBL4395653 0.83 APAF1 (0.90) APAF1CASP3CASP9CYCSCCR5
SCHEMBL9885455 0.83 APAF1 (0.72) APAF1CASP3CASP9CYCSCCR5
SCHEMBL4541497 0.82 APAF1 (0.86) APAF1CASP3CASP9CYCSCCR5
SCHEMBL4391634 0.82 APAF1 (0.86) APAF1CASP3CASP9CYCSCCR5

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