SCHEMBL6519003

SCHEMBL6519003

NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.50
▸ NMUR2 Q9GZQ4 3/20 0.48
▸ NMUR1 Q9HB89 2/20 0.48
▸ MAOB P27338 1/20 0.46
▸ KDM5A P29375 1/20 0.46
▸ KDM1B Q8NB78 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
SCHEMBL30005549 0.92 NMUR2 (0.50) NMUR2NMUR1
SCHEMBL30233455 0.89 STAT3 (0.52) KDM1ANMUR2NMUR1MAOBKDM5A
SCHEMBL30854856 0.89 OPRM1 (0.60) KDM1ANMUR2NMUR1
SCHEMBL13599743 0.88 KDM1A (0.55) KDM1ANMUR2NMUR1MAOBKDM5A
SCHEMBL30004440 0.87 REN (0.53) NMUR2NMUR1
SCHEMBL30004616 0.85 OPRM1 (0.57) —
SCHEMBL31362679 0.84 SLC6A2 (0.56) —
SCHEMBL30495830 0.84 OPRM1 (0.60) KDM1ANMUR2NMUR1MAOBKDM5A
SCHEMBL30880893 0.84 MAPK8 (0.54) KDM1ANMUR2MAOBKDM5AKDM1B
SCHEMBL10777748 0.83 REN (0.51) —

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-20050037343-A1 Three dimensional format biochips BIOCEPT, INC. 2005-02-17 — — US disclosed
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