SCHEMBL31467754

SCHEMBL31467754

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.59
▸ MAOB P27338 1/20 0.56
▸ KDM5A P29375 1/20 0.56
▸ KDM1B Q8NB78 1/20 0.56
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ TFPI P10646 4/20 0.52
▸ OPRM1 P35372 5/20 0.51
▸ OPRK1 P41145 5/20 0.51
▸ CXCR4 P61073 2/20 0.51
▸ NPY1R P25929 2/20 0.50
▸ NPY2R P49146 2/20 0.50
▸ NPY4R P50391 2/20 0.50
▸ NPY5R Q15761 2/20 0.50
▸ EPHA2 P29317 2/20 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
SCHEMBL31437189 0.91 MAPK8 (0.54) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL31467768 0.88 CXCR4 (0.55) TFPIOPRM1OPRK1CXCR4NPY1R
SCHEMBL31437179 0.88 TFPI (0.56) TFPIOPRM1OPRK1NPY1RNPY2R
SCHEMBL31437188 0.88 KEAP1 (0.50) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL31437159 0.88 CXCR4 (0.54) TFPIOPRM1OPRK1CXCR4NPY1R
SCHEMBL30432784 0.87 KDM1A (0.58) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30432980 0.86 KDM1A (0.58) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL30562225 0.86 NPY2R (0.56) TFPINPY1RNPY2RNPY4RNPY5R
SCHEMBL30311211 0.85 KDM1A (0.55) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL29389635 0.85 RAMP3 (0.57) KDM1AMAPK8MAPK9MAPK10NPY1R

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-2025037992-A1 NEW PEPTIDES AND USE THEREOF MAJEWSKI FILIP (PL) 2025-02-20 — — WO claimed
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