SCHEMBL20099657

SCHEMBL20099657

CC[C@H](CCCNC(=N)N)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.34
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL21541166 0.88 MEN1 (0.36) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL21424858 0.83 MEN1 (0.35) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL20104611 0.77 ALOX15 (0.34) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL23436542 0.77 MEN1 (0.31) MEN1CYP1A2KMT2ASMN1; SMN2CHRNB2
SCHEMBL20104599 0.76 NPY4R (0.33) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL21559886 0.76 MEN1 (0.33) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL13971374 0.76 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL171399 0.76 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL18822222 0.76 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL20468086 0.76 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15

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-3988123-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS Janssen Pharmaceutica NV (BE) 2022-04-27 EP disclosed
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-2018081367-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO 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