SCHEMBL30437820

SCHEMBL30437820

N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.54
▸ MAOB P27338 1/20 0.54
▸ KDM5A P29375 1/20 0.54
▸ KDM1B Q8NB78 1/20 0.54
▸ IL23R Q5VWK5 1/20 0.52
▸ OPRM1 P35372 8/20 0.52
▸ OPRK1 P41145 6/20 0.52
▸ CXCR4 P61073 2/20 0.52
▸ NPY4R P50391 3/20 0.51
▸ NPY1R P25929 2/20 0.51
▸ NPY2R P49146 2/20 0.51
▸ NPY5R Q15761 2/20 0.51
▸ NPFFR1 Q9GZQ6 2/20 0.50
▸ NPFFR2 Q9Y5X5 2/20 0.50
▸ OPRD1 P41143 1/20 0.50

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
SCHEMBL30437818 0.98 KDM1A (0.53) KDM1AMAOBKDM5AKDM1BIL23R
SCHEMBL29932146 0.96 NPY4R (0.54) KDM1AMAOBKDM5AKDM1BIL23R
SCHEMBL30078137 0.95 OPRM1 (0.54) KDM1AMAOBKDM5AKDM1BIL23R
SCHEMBL30078177 0.95 OPRM1 (0.54) KDM1AMAOBKDM5AKDM1BIL23R
SCHEMBL30078178 0.95 OPRM1 (0.54) KDM1AMAOBKDM5AKDM1BIL23R
SCHEMBL30078205 0.95 OPRM1 (0.54) KDM1AMAOBKDM5AKDM1BIL23R
SCHEMBL29749864 0.94 OPRM1 (0.53) IL23ROPRM1OPRK1NPY4RNPY1R
SCHEMBL29932155 0.94 OPRM1 (0.53) IL23ROPRM1OPRK1NPY4RNPY1R
SCHEMBL29932218 0.94 OPRM1 (0.53) IL23ROPRM1OPRK1NPY4RNPY1R
SCHEMBL29932201 0.94 OPRM1 (0.53) IL23ROPRM1OPRK1NPY4RNPY1R

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
US-11648293-B2 Compositions and methods for treating cancer BIOKINE THERAPEUTICS LTD. (IL) 2023-05-16 — — US disclosed
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