SCHEMBL13448168

SCHEMBL13448168

CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(C)=O)C(=O)C(=O)NN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CTSL P07711 5/20 0.39
▸ CTSB P07858 5/20 0.39
▸ CTSS P25774 5/20 0.39
▸ CTSK P43235 5/20 0.39
▸ F2 P00734 2/20 0.38
▸ F7 P08709 1/20 0.38
▸ TACR1 P25103 1/20 0.36

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
SCHEMBL13448393 0.87 ACE (0.42) ACEMEN1KMT2AUSP2LMNA
SCHEMBL13448379 0.84 ACE (0.44) ACEMEN1KMT2AUSP2LMNA
SCHEMBL13448396 0.82 ACE (0.44) ACEMEN1KMT2AUSP2LMNA
SCHEMBL13448164 0.77 ACE (0.43) ACEMEN1KMT2AUSP2LMNA
SCHEMBL13448173 0.77 ACE (0.45) ACEMEN1KMT2AUSP2LMNA
SCHEMBL8279525 0.77 CTSL (0.61) CTSLCTSBCTSSCTSK
SCHEMBL13448167 0.75 ACE (0.40) ACEMEN1KMT2AUSP2LMNA
SCHEMBL13448383 0.74 ACE (0.41) ACEMEN1KMT2AUSP2LMNA
SCHEMBL24302439 0.71 F2 (0.43) ACEMEN1KMT2AUSP2LMNA
SCHEMBL31593075 0.70 POLB (0.41) ACEMEN1KMT2AUSP2LMNA

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-7683033-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 — — US disclosed
Send feedback