SCHEMBL14022951

SCHEMBL14022951

NNC(=O)[C@H](N)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
LNPEP Q9UIQ6 3/20 0.50
ANPEP P15144 2/20 0.50
ERAP1 Q9NZ08 2/20 0.50
ERAP2 Q6P179 2/20 0.50
CTSC P53634 1/20 0.50
KMT2A Q03164 1/20 0.49
GRIK1 P39086 1/20 0.47
CNR2 P34972 1/20 0.47
CTSD P07339 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
MMP8 P22894 1/20 0.46

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
SCHEMBL8848708 0.86 TSHR (0.65) TSHRMETAP2METAP1LNPEPANPEP
SCHEMBL2567389 0.84 TSHR (0.54) TSHRMETAP2METAP1LNPEPANPEP
SCHEMBL2567392 0.84 TSHR (0.54) TSHRMETAP2METAP1LNPEPANPEP
SCHEMBL6247713 0.84 TSHR (0.54) TSHRMETAP2METAP1LNPEPANPEP
SCHEMBL15143051 0.83 LTA4H (0.56) LNPEPERAP2
Hydrochloric Acid SCHEMBL6898149 0.83 TSHR (0.53) TSHRMETAP2METAP1LNPEPANPEP
SCHEMBL14444028 0.83 POLB (0.55) METAP2KMT2AMMP8
Hydrochloric Acid SCHEMBL27559888 0.83 TSHR (0.53) TSHRMETAP2METAP1LNPEPANPEP
SCHEMBL3291656 0.82 TSHR (0.51) TSHRMETAP2METAP1ANPEPERAP1
SCHEMBL1736260 0.81 ALPI (0.66) ANPEPCTSCKMT2ACTSDALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024095177-A1 MANGANESE BIFUNCTIONAL CHELATING AGENT CONJUGATION PLATFORM FOR TARGETED MR IMAGING THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-05-10 WO disclosed
WO-2008141189-A1 GHRELIN MODULATING COMPOUNDS AND COMBINATIONS THEREOF ELIXIR PHARMACEUTICALS, INC. (US) 2008-11-20 WO disclosed