SCHEMBL4749199

SCHEMBL4749199

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCCN)C[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM2B Q8NHM5 2/20 0.34
HTR1A P08908 6/20 0.34
DRD1 P21728 6/20 0.34
DRD4 P21917 6/20 0.34
DRD5 P21918 6/20 0.34
DRD3 P35462 6/20 0.34
KIF11 P52732 2/20 0.34
DRD2 P14416 5/20 0.33
ESR1 P03372 2/20 0.33
MGLL Q99685 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL4748997 1.00 MEN1 (0.34) MEN1KMT2AKDM2BHTR1ADRD1
SCHEMBL4028191 0.98 KIF11 (0.35) MEN1KMT2AKDM2BHTR1ADRD1
SCHEMBL4751349 0.97 KDM2B (0.33) MEN1KMT2AKDM2BHTR1ADRD1
SCHEMBL4751355 0.97 KDM2B (0.33) MEN1KMT2AKDM2BHTR1ADRD1
SCHEMBL4029040 0.97 DRD3 (0.35) MEN1KMT2AKDM2BHTR1ADRD1
SCHEMBL4752024 0.95 KIF11 (0.34) MEN1KMT2AKDM2BHTR1ADRD1
SCHEMBL4752015 0.95 KIF11 (0.34) MEN1KMT2AKDM2BHTR1ADRD1
SCHEMBL4751597 0.94 DRD3 (0.33) MEN1KMT2AKDM2BHTR1ADRD1
SCHEMBL4024540 0.94 MEN1 (0.35) MEN1KMT2AKDM2BKIF11MGLL
SCHEMBL13720775 0.94 MEN1 (0.35) MEN1KMT2AKDM2BKIF11MGLL

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-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed