SCHEMBL9530877

SCHEMBL9530877

CCCN1CCC(C(OC(C)=O)c2ccc3[nH]cc(C(C)c4ccc(C(=O)O)cc4OC)c3c2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
TSHR P16473 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 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
SCHEMBL9526286 0.94 B3GAT3 (0.33) KDM2BMTNR1AMTNR1B
SCHEMBL9527493 0.86 B3GAT3 (0.33) KDM2B
SCHEMBL9527486 0.84 B3GAT3 (0.35) MTNR1AMTNR1B
SCHEMBL9527773 0.83 B3GAT3 (0.35) KDM2B
SCHEMBL9526830 0.82 NPC1 (0.35) NPC1RAB9AKDM2BMTNR1AMTNR1B
SCHEMBL9526625 0.81 B3GAT3 (0.33)
SCHEMBL9526603 0.79 CCR2 (0.34)
SCHEMBL9526819 0.77 CCR2 (0.33) KDM2B
SCHEMBL9530873 0.77 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL9527072 0.76 B3GAT3 (0.34) KDM2B

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
EP-0337767-B1 CYCLIC AMIDES ICI AMERICAS INC. (US) 1993-01-13 EP disclosed