SCHEMBL4749062

SCHEMBL4749062

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CCCCN(C)C)CC1C(=O)N1CC[C@H](O)[C@H]1C(F)F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.32
BCHE P06276 1/20 0.31
KIF11 P52732 1/20 0.31
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

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
SCHEMBL4749503 0.88 BCHE (0.34) HTR7BCHEKIF11HTR1ADRD2
SCHEMBL4751292 0.88 BCHE (0.34) HTR7BCHEKIF11HTR1ADRD2
SCHEMBL4749009 0.88 BCHE (0.34) HTR7BCHEKIF11HTR1ADRD2
SCHEMBL4751386 0.88 BCHE (0.34) HTR7BCHEKIF11HTR1ADRD2
SCHEMBL4749502 0.88 BCHE (0.34) HTR7BCHEKIF11HTR1ADRD2
SCHEMBL4751295 0.88 BCHE (0.34) HTR7BCHEKIF11HTR1ADRD2
SCHEMBL4751995 0.86 PIK3CD (0.33) KIF11
SCHEMBL4749414 0.86 PIK3CD (0.33) KIF11
SCHEMBL4749416 0.86 PIK3CD (0.33) KIF11
SCHEMBL4025347 0.86 KIF11 (0.37) HTR7BCHEKIF11HTR1ADRD2

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