SCHEMBL6547215

SCHEMBL6547215

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.42
DPP7 Q9UHL4 1/20 0.41
FURIN P09958 1/20 0.38
KEAP1 Q14145 1/20 0.38
HDAC3 O15379 7/20 0.37
HDAC11 Q96DB2 7/20 0.37
HDAC6 Q9UBN7 7/20 0.37
HDAC1 Q13547 6/20 0.37
HDAC2 Q92769 6/20 0.37
HDAC10 Q969S8 6/20 0.37
HDAC8 Q9BY41 6/20 0.37
NCOR2 Q9Y618 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOS2 P35228 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34

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 1.00 PRCP (0.42) PRCPDPP7FURINKEAP1HDAC3
SCHEMBL11174438 1.00 PRCP (0.42) PRCPDPP7FURINKEAP1HDAC3
SCHEMBL29924267 0.93 PRCP (0.41) PRCPDPP7FURINKEAP1HDAC3
SCHEMBL29548137 0.93 PRCP (0.41) PRCPDPP7FURINKEAP1HDAC3
SCHEMBL29630736 0.89 KEAP1 (0.39) PRCPDPP7FURINKEAP1HDAC3
SCHEMBL29808626 0.88 PRCP (0.46) PRCPDPP7FURINMEN1KMT2A
SCHEMBL30974174 0.87 KDM1A (0.38) PRCPDPP7FURINKEAP1HDAC3
SCHEMBL29496543 0.87 MEN1 (0.44) PRCPDPP7FURINKEAP1HDAC3
SCHEMBL8468595 0.87 KEAP1 (0.35) PRCPDPP7FURINKEAP1HDAC3
SCHEMBL17711236 0.86 MEN1 (0.47) PRCPDPP7FURINMEN1KMT2A

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-B1 TRI-, TETRA-, PENTA-, AND POLYPEPTIDES AND THEIR THERAPEUTIC USE AS AN ANTIDEPRESSANT AGENT INNAPHARMA INC (US) 2004-01-21 EP claimed
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