SCHEMBL5888631

SCHEMBL5888631

CCCC(C)C(=O)N[C@@H](C)c1cccc(-c2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ PSEN1 P49768 1/20 0.47
▸ PSEN2 P49810 1/20 0.47
▸ APH1B Q8WW43 1/20 0.47
▸ NCSTN Q92542 1/20 0.47
▸ APH1A Q96BI3 1/20 0.47
▸ PSENEN Q9NZ42 1/20 0.47
▸ CTSA P10619 3/20 0.46
▸ DYRK1A Q13627 1/20 0.42
▸ KMO O15229 1/20 0.42
▸ POLB P06746 1/20 0.41

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
SCHEMBL5888650 0.83 CTSL (0.52) CTSLCTSSCTSKPSEN1PSEN2
SCHEMBL5888653 0.83 CTSL (0.52) CTSLCTSSCTSKPSEN1PSEN2
SCHEMBL5888656 0.83 CTSL (0.52) CTSLCTSSCTSKPSEN1PSEN2
SCHEMBL5888493 0.78 CTSL (0.49) CTSLCTSSCTSKPSEN1PSEN2
SCHEMBL5888488 0.78 CTSL (0.49) CTSLCTSSCTSKPSEN1PSEN2
SCHEMBL5888229 0.78 CTSL (0.50) CTSLCTSSCTSKCTSA
SCHEMBL5888225 0.78 CTSL (0.50) CTSLCTSSCTSKCTSA
SCHEMBL5888232 0.78 CTSL (0.50) CTSLCTSSCTSKCTSA
SCHEMBL5888341 0.78 CTSL (0.49) CTSLCTSSCTSKPSEN1PSEN2
SCHEMBL5888499 0.78 CTSL (0.49) CTSLCTSSCTSKPSEN1PSEN2

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
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 — — US disclosed
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