SCHEMBL5778230

SCHEMBL5778230

CN(CCC1CCN(C#N)C1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.48
CTSL P07711 3/20 0.39
CTSB P07858 3/20 0.39
CTSS P25774 2/20 0.39
CTSC P53634 1/20 0.39
USP30 Q70CQ3 10/20 0.38
CTSD P07339 1/20 0.36
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSH P09668 1/20 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
SCHEMBL5164559 0.78 CTSK (0.38) CTSKCTSLCTSBCTSSCTSD
SCHEMBL5164561 0.78 CTSK (0.38) CTSKCTSLCTSBCTSSCTSD
SCHEMBL21996681 0.78 GPR119 (0.41) ACHE
SCHEMBL771696 0.77 ACHE (0.36) ACHEMEN1KMT2A
SCHEMBL27374399 0.76 HTR2C (0.37) ACHEALDH1A1KMT2A
SCHEMBL5025593 0.74 NR1H2 (0.42) ACHEALDH1A1KMT2A
SCHEMBL6018374 0.74 LSS (0.36) ACHEALDH1A1KMT2A
SCHEMBL6018377 0.74 LSS (0.36) ACHEALDH1A1KMT2A
SCHEMBL5025592 0.74 NR1H2 (0.42) ACHEALDH1A1KMT2A
SCHEMBL22755466 0.73 CTSK (0.61) CTSKCTSLCTSBUSP30

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed