SCHEMBL20099754

SCHEMBL20099754

CC(=O)CC[C@@H](C)NC(=O)Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.51
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ACACB O00763 1/20 0.45
PPARA Q07869 1/20 0.44
PSMB8 P28062 1/20 0.43
PSMB5 P28074 1/20 0.43
UTS2R Q9UKP6 2/20 0.43

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
SCHEMBL26309847 0.88 CNR2 (0.50) CNR2KMT2APOLBALDH1A1MAPT
SCHEMBL20104605 0.86 CNR2 (0.48) CNR2KMT2APOLBALDH1A1MAPT
SCHEMBL20099708 0.84 KMT2A (0.50) CNR2KMT2AALDH1A1MAPTHPGD
SCHEMBL12835529 0.81 CNR2 (0.61) CNR2KMT2APOLBALDH1A1MAPT
SCHEMBL19523045 0.78 CNR2 (0.61) CNR2KMT2APOLBALDH1A1PSMB8
SCHEMBL5327587 0.77 ALDH1A1 (0.74) CNR2KMT2APOLBALDH1A1MAPT
SCHEMBL18885276 0.76 CNR2 (0.67) CNR2KMT2APOLBALDH1A1PSMB8
SCHEMBL20130631 0.74 ALDH1A1 (0.49) CNR2KMT2AALDH1A1MAPTHPGD
SCHEMBL7151264 0.74 NPC1 (0.50) CNR2KMT2APOLBALDH1A1MAPT
SCHEMBL12809523 0.73 POLB (0.61) CNR2KMT2APOLBALDH1A1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532486-B1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-22 EP disclosed
WO-2018081370-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed
WO-2018081367-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed