SCHEMBL7339983

SCHEMBL7339983

CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.59
PSMB11 A5LHX3 2/20 0.53
PSMA7 O14818 2/20 0.53
PSMB1 P20618 2/20 0.53
PSMA1 P25786 2/20 0.53
PSMA2 P25787 2/20 0.53
PSMA3 P25788 2/20 0.53
PSMA4 P25789 2/20 0.53
PSMB8 P28062 2/20 0.53
PSMB9 P28065 2/20 0.53
PSMA5 P28066 2/20 0.53
PSMB4 P28070 2/20 0.53
PSMB6 P28072 2/20 0.53
PSMB5 P28074 2/20 0.53
PSMB10 P40306 2/20 0.53
PSMB3 P49720 2/20 0.53
PSMB2 P49721 2/20 0.53
PSMA6 P60900 2/20 0.53
PSMA8 Q8TAA3 2/20 0.53
PSMB7 Q99436 2/20 0.53

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
SCHEMBL21023244 0.92 CACNA1B (0.58) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL11938562 0.92 CACNA1B (0.58) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7344929 0.92 CACNA1B (0.58) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7342873 0.92 CACNA1B (0.58) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7344934 0.92 CACNA1B (0.58) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7345113 0.92 CACNA1B (0.58) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7342880 0.92 CACNA1B (0.58) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7345107 0.92 CACNA1B (0.58) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7346714 0.91 POLB (0.58) CTSSPSMB11PSMA7PSMB1PSMA1
SCHEMBL7346720 0.91 POLB (0.58) CTSSPSMB11PSMA7PSMB1PSMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975623-B1 INDAZOLE AMIDE COMPOUNDS AS SEROTONINERGIC AGENTS ACRAF (IT) 2002-06-19 EP claimed
US-6197769-B1 SEROTONINE RECEPTORS ANTAGONIST; GASTROINTESTINAL DISORDERS, ANTIARRHYTHMIA AGENTS; INCONTINENCE AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2001-03-06 US claimed
EP-0975623-A2 INDAZOLE AMIDE COMPOUNDS AS SEROTONINERGIC AGENTS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2000-02-02 EP claimed
WO-1998046589-A2 INDAZOLE AMIDE COMPOUNDS AS SEROTONINERGIC AGENTS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1998-10-22 WO claimed
US-9403791-B1 Coumarin derivatives for cancer therapy WELLESLEY COLLEGE (US) 2016-08-02 US disclosed
US-9388155-B1 Coumarin derivatives for cancer therapy WELLESLEY COLLEGE (US) 2016-07-12 US disclosed
EP-0975623-B1 INDAZOLE AMIDE COMPOUNDS AS SEROTONINERGIC AGENTS ACRAF (IT) 2002-06-19 EP disclosed
US-6197769-B1 SEROTONINE RECEPTORS ANTAGONIST; GASTROINTESTINAL DISORDERS, ANTIARRHYTHMIA AGENTS; INCONTINENCE AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2001-03-06 US disclosed
EP-0975623-A2 INDAZOLE AMIDE COMPOUNDS AS SEROTONINERGIC AGENTS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2000-02-02 EP disclosed
WO-1998046589-A2 INDAZOLE AMIDE COMPOUNDS AS SEROTONINERGIC AGENTS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1998-10-22 WO disclosed