SCHEMBL6927143

SCHEMBL6927143

CCCCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)CNC(=O)Cc2cccc(-c3ccccn3)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.43
▸ CTSB P07858 3/20 0.43
▸ CTSS P25774 3/20 0.43
▸ CTSK P43235 6/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ DGAT1 O75907 1/20 0.38
▸ CNR2 P34972 5/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ PSMB5 P28074 1/20 0.37
▸ CTSV O60911 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL7463889 0.88 CTSL (0.49) CTSLCTSBCTSSCTSKCNR2
SCHEMBL7464557 0.83 GRN (0.52) CTSLCTSBCTSSCTSKCNR2
SCHEMBL6927425 0.83 CTSL (0.55) CTSLCTSBCTSSCTSKCNR2
SCHEMBL7464820 0.82 CTSL (0.47) CTSLCTSBCTSSCTSKCNR2
SCHEMBL7467469 0.81 CTSL (0.47) CTSLCTSBCTSSCTSKCNR2
SCHEMBL6927525 0.81 CTSL (0.49) CTSLCTSBCTSSCTSKCNR2
SCHEMBL7467318 0.81 CTSL (0.53) CTSLCTSBCTSSCTSKCNR2
SCHEMBL7609373 0.80 HSPA5 (0.49) CTSLCTSBCTSSCTSKCNR2
SCHEMBL7462272 0.80 CTSL (0.50) CTSLCTSBCTSSCTSKCNR2
SCHEMBL7462346 0.80 CTSK (0.47) CTSLCTSBCTSSCTSKCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 — — US claimed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 — — US disclosed
Send feedback