SCHEMBL6622072

SCHEMBL6622072

CC(=O)C(C)N(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ncccc12)C(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.48
▸ CTSS P25774 5/20 0.48
▸ CTSB P07858 4/20 0.48
▸ CTSV O60911 4/20 0.46
▸ TACR3 P29371 3/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ METAP1 P53582 1/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ KLKB1 P03952 1/20 0.39
▸ CAPN1 P07384 5/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ PSMB5 P28074 1/20 0.37

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
SCHEMBL6926223 0.81 CTSS (0.51) CTSLCTSSCTSBCTSVTACR3
SCHEMBL6929121 0.69 CTSS (0.52) CTSLCTSSCTSBCTSVKLKB1
SCHEMBL16999362 0.68 KDM4E (0.53) CTSLCTSSCTSVNSD2KLKB1
SCHEMBL16994018 0.68 KDM4E (0.53) CTSLCTSSCTSVNSD2KLKB1
SCHEMBL7462346 0.66 CTSK (0.47) CTSLCTSSCTSBCTSV
SCHEMBL16999319 0.66 PABPC1 (0.66) CTSLCTSSCTSVNSD2KMT2A
SCHEMBL16999703 0.66 KDM4E (0.53) CTSLCTSSCTSVNSD2
SCHEMBL16993979 0.66 PABPC1 (0.66) CTSLCTSSCTSVNSD2KMT2A
SCHEMBL16994059 0.66 KDM4E (0.53) CTSLCTSSCTSVNSD2
SCHEMBL16999330 0.66 USP30 (0.59) KMT2A

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-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 — — EP claimed
EP-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 — — EP claimed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 — — WO claimed
Send feedback