SCHEMBL4751292

SCHEMBL4751292

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C(F)F)CN(CCCCN(C)C)C[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.34
HTR7 P34969 2/20 0.32
KDM2B Q8NHM5 2/20 0.31
KIF11 P52732 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4749502 1.00 BCHE (0.34) BCHEHTR7KDM2BKIF11HTR1A
SCHEMBL4751386 1.00 BCHE (0.34) BCHEHTR7KDM2BKIF11HTR1A
SCHEMBL4751295 1.00 BCHE (0.34) BCHEHTR7KDM2BKIF11HTR1A
SCHEMBL4749009 1.00 BCHE (0.34) BCHEHTR7KDM2BKIF11HTR1A
SCHEMBL4749503 1.00 BCHE (0.34) BCHEHTR7KDM2BKIF11HTR1A
SCHEMBL4749144 0.91 BCHE (0.36) BCHEHTR7KDM2BHTR1ADRD2
SCHEMBL4752185 0.89 RAB9A (0.37) BCHEHTR7KDM2BHTR1ADRD2
SCHEMBL4751995 0.89 PIK3CD (0.33) KIF11
SCHEMBL4749414 0.89 PIK3CD (0.33) KIF11
SCHEMBL4749416 0.89 PIK3CD (0.33) KIF11

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