SCHEMBL672599

SCHEMBL672599

N#CN1CCC[C@H]1C(=O)CCl

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.46
CTSB P07858 3/20 0.46
CTSK P43235 3/20 0.46
CTSH P09668 2/20 0.46
UCHL1 P09936 14/20 0.39
USP30 Q70CQ3 8/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL1397920 1.00 CTSL (0.46) CTSLCTSBCTSKCTSHUCHL1
SCHEMBL757680 0.82 CTSL (0.46) CTSLCTSBCTSKCTSHUCHL1
SCHEMBL6884054 0.77 CTSL (0.47) CTSLCTSBCTSKCTSHUCHL1
SCHEMBL707280 0.77 CTSL (0.47) CTSLCTSBCTSKCTSHUCHL1
SCHEMBL707281 0.77 CTSL (0.47) CTSLCTSBCTSKCTSHUCHL1
SCHEMBL30768091 0.72 CTSL (0.46) CTSLCTSBCTSKCTSHUCHL1
SCHEMBL6856059 0.71 CTSL (0.56) CTSLCTSBCTSKCTSHUCHL1
SCHEMBL30749079 0.71 CTSL (0.56) CTSLCTSBCTSKCTSHUCHL1
SCHEMBL25305712 0.70 ACE (0.41) LMNA
SCHEMBL13815648 0.70 CTSL (0.48) CTSLCTSBCTSKCTSHUCHL1

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
WO-2012022994-A1 PREPARATION PROCESS OF VILDAGLIPTIN EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2012-02-23 WO disclosed