SCHEMBL8498642

SCHEMBL8498642

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)NC(=O)C1Cc2ccccc2CN1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KEAP1 Q14145 1/20 0.40
HDAC3 O15379 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
NCOR2 Q9Y618 1/20 0.39
FURIN P09958 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL6429000 0.80 MEN1 (0.53) CXCR3MEN1KMT2ASMYD3
SCHEMBL6547215 0.79 PRCP (0.42) MEN1KMT2AKEAP1HDAC3HDAC11
SCHEMBL11657213 0.79 PRCP (0.42) MEN1KMT2AKEAP1HDAC3HDAC11
SCHEMBL11174438 0.79 PRCP (0.42) MEN1KMT2AKEAP1HDAC3HDAC11
SCHEMBL29630736 0.79 KEAP1 (0.39) MEN1KMT2AKEAP1HDAC3HDAC11
SCHEMBL6384470 0.78 KEAP1 (0.48) KEAP1HDAC3HDAC11HDAC6HDAC1
SCHEMBL29924267 0.78 PRCP (0.41) MEN1KMT2AKEAP1HDAC3HDAC11
SCHEMBL29548137 0.78 PRCP (0.41) MEN1KMT2AKEAP1HDAC3HDAC11
SCHEMBL11657224 0.77 PRCP (0.41) CXCR3
SCHEMBL29489137 0.77 KEAP1 (0.39) MEN1KMT2AKEAP1HDAC3HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999022758-A1 TRI-, TETRA-, PENTA-, AND POLYPEPTIDES AND THEIR THERAPEUTIC USE AS AN ANTIDEPRESSANT AGENT INNAPHARMA, INC. (US) 1999-05-14 WO disclosed