SCHEMBL29924267

SCHEMBL29924267

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.41
DPP7 Q9UHL4 1/20 0.40
FURIN P09958 1/20 0.39
HDAC3 O15379 7/20 0.38
HDAC11 Q96DB2 7/20 0.38
HDAC6 Q9UBN7 7/20 0.38
HDAC1 Q13547 6/20 0.38
HDAC2 Q92769 6/20 0.38
HDAC10 Q969S8 6/20 0.38
HDAC8 Q9BY41 6/20 0.38
NCOR2 Q9Y618 1/20 0.38
KEAP1 Q14145 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSC P53634 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 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
SCHEMBL29548137 1.00 PRCP (0.41) PRCPDPP7FURINHDAC3HDAC11
SCHEMBL29630736 0.96 KEAP1 (0.39) PRCPDPP7FURINHDAC3HDAC11
SCHEMBL30974174 0.94 KDM1A (0.38) PRCPDPP7FURINHDAC3HDAC11
SCHEMBL30938813 0.93 GHSR (0.40) PRCPFURINHDAC3HDAC11HDAC6
SCHEMBL11174438 0.93 PRCP (0.42) PRCPDPP7FURINHDAC3HDAC11
SCHEMBL6547215 0.93 PRCP (0.42) PRCPDPP7FURINHDAC3HDAC11
SCHEMBL11657213 0.93 PRCP (0.42) PRCPDPP7FURINHDAC3HDAC11
SCHEMBL29980620 0.92 PRCP (0.39) PRCPDPP7FURINKEAP1
SCHEMBL29531601 0.91 KEAP1 (0.41) FURINHDAC3HDAC11HDAC6HDAC1
SCHEMBL29517268 0.90 NMT1 (0.45)

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-2022149159-A1 MOLECULAR IMAGING COMPLEX FOR POSITRON EMISSION TOMOGRAPHY SHUKLA JAYA (IN) 2022-07-14 WO disclosed