SCHEMBL3628077

SCHEMBL3628077

CCC(C)[C@H](NC(=O)O)C(=O)NI

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CTSS P25774 2/20 0.41
CTSK P43235 1/20 0.41
MME P08473 2/20 0.41
ACE P12821 2/20 0.41
CPA1 P15085 2/20 0.41
ACE2 Q9BYF1 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ANPEP P15144 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CTSL P07711 2/20 0.36
CTSB P07858 1/20 0.36
FPR2 P25090 2/20 0.36
ATM Q13315 1/20 0.36
ENPEP Q07075 6/20 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
SCHEMBL3550024 0.81 ALDH1A1 (0.46) ALDH1A1CTSSCTSKMMEACE
SCHEMBL16284115 0.81 CTSS (0.48) ALDH1A1CTSSCTSKMMEACE
SCHEMBL15302508 0.79 ALDH1A1 (0.68) ALDH1A1MMEACECPA1ACE2
SCHEMBL15302507 0.79 ALDH1A1 (0.68) ALDH1A1MMEACECPA1ACE2
SCHEMBL3635434 0.77 ALDH1A1 (0.46) ALDH1A1CTSSCTSKMMEACE
SCHEMBL3635439 0.77 ALDH1A1 (0.46) ALDH1A1CTSSCTSKMMEACE
SCHEMBL3635433 0.77 ALDH1A1 (0.46) ALDH1A1CTSSCTSKMMEACE
SCHEMBL25328927 0.77 CTSS (0.44) ALDH1A1CTSSCTSKMMEACE
SCHEMBL17157140 0.76 ALDH1A1 (0.48) ALDH1A1CTSSCTSKMMEACE
SCHEMBL3703074 0.76 ALDH1A1 (0.48) ALDH1A1CTSSCTSKMMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP disclosed
EP-2131854-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY Aeterna Zentaris Gmbh (DE) 2009-12-16 EP disclosed
WO-2009106597-A1 USE OF LHRH ANTAGONISTS AT NON-CASTRATING DOSES ÆTERNA ZENTARIS GMBH (DE) 2009-09-03 WO disclosed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO disclosed
WO-2008107446-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY ÆTERNA ZENTARIS GMBH (DE) 2008-09-12 WO disclosed