SCHEMBL4749384

SCHEMBL4749384

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCCN)C[C@@H]1c1c[c]cc(O)c1

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.30
MC5R P33032 1/20 0.30
MC1R Q01726 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30
KIF11 P52732 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
SCHEMBL4749387 0.89 KDM2B (0.32) MC4RMC5RMC1RMEN1KMT2A
SCHEMBL4752137 0.89 KDM2B (0.32) MC4RMC5RMC1RMEN1KMT2A
SCHEMBL4749504 0.87 KDR (0.30)
SCHEMBL4749199 0.87 MEN1 (0.34) MEN1KMT2AHTR1ADRD2DRD1
SCHEMBL4748997 0.87 MEN1 (0.34) MEN1KMT2AHTR1ADRD2DRD1
SCHEMBL4028191 0.85 KIF11 (0.35) MEN1KMT2AHTR1ADRD2DRD1
SCHEMBL4751349 0.85 KDM2B (0.33) MEN1KMT2AHTR1ADRD2DRD1
SCHEMBL4751355 0.85 KDM2B (0.33) MEN1KMT2AHTR1ADRD2DRD1
SCHEMBL4029040 0.85 DRD3 (0.35) MEN1KMT2AHTR1ADRD2DRD1
SCHEMBL4752015 0.83 KIF11 (0.34) MEN1KMT2AHTR1ADRD2DRD1

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