SCHEMBL8468595

SCHEMBL8468595

N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)[C@@]1(C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)CCCN1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.35
FURIN P09958 3/20 0.34
PRCP P42785 2/20 0.33
DPP7 Q9UHL4 1/20 0.32
KDM1A O60341 3/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
HDAC3 O15379 4/20 0.31
HDAC1 Q13547 4/20 0.31
HDAC2 Q92769 4/20 0.31
HDAC10 Q969S8 4/20 0.31
HDAC11 Q96DB2 4/20 0.31
HDAC8 Q9BY41 4/20 0.31
HDAC6 Q9UBN7 4/20 0.31
NCOR2 Q9Y618 1/20 0.31
MAOB P27338 1/20 0.31
KDM5A P29375 1/20 0.31
KDM1B Q8NB78 1/20 0.31

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
SCHEMBL11657213 0.87 PRCP (0.42) KEAP1FURINPRCPDPP7MAPK8
SCHEMBL11174438 0.87 PRCP (0.42) KEAP1FURINPRCPDPP7MAPK8
SCHEMBL6547215 0.87 PRCP (0.42) KEAP1FURINPRCPDPP7MAPK8
SCHEMBL29548137 0.80 PRCP (0.41) KEAP1FURINPRCPDPP7HDAC3
SCHEMBL29924267 0.80 PRCP (0.41) KEAP1FURINPRCPDPP7HDAC3
SCHEMBL29630736 0.77 KEAP1 (0.39) KEAP1FURINPRCPDPP7MAPK8
SCHEMBL29808626 0.76 PRCP (0.46) FURINPRCPDPP7KDM1A
SCHEMBL30974174 0.76 KDM1A (0.38) KEAP1FURINPRCPDPP7KDM1A
SCHEMBL29980620 0.76 PRCP (0.39) KEAP1FURINPRCPDPP7MAPK8
SCHEMBL29496543 0.76 MEN1 (0.44) KEAP1FURINPRCPDPP7KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759772-A4 TRI-, TETRA-, PENTA-, AND POLYPEPTIDES AND THEIR THERAPEUTIC USE AS AN ANTIDEPRESSANT AGENT INNAPHARMA INC (US) 1999-04-21 EP claimed
EP-0759772-A1 TRI-, TETRA-, PENTA-, AND POLYPEPTIDES AND THEIR THERAPEUTIC USE AS AN ANTIDEPRESSANT AGENT INNAPHARMA, INC. (US) 1997-03-05 EP claimed
WO-1995030430-A1 TRI-, TETRA-, PENTA-, AND POLYPEPTIDES AND THEIR THERAPEUTIC USE AS AN ANTIDEPRESSANT AGENT INNAPHARMA, INC. (US) 1995-11-16 WO claimed
WO-1999022758-A1 TRI-, TETRA-, PENTA-, AND POLYPEPTIDES AND THEIR THERAPEUTIC USE AS AN ANTIDEPRESSANT AGENT INNAPHARMA, INC. (US) 1999-05-14 WO disclosed