SCHEMBL4019728

SCHEMBL4019728

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2F)CN(CCO)C[C@@H]1C(=O)c1cccc(O)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MC4R P32245 1/20 0.33
MGLL Q99685 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
PIN1 Q13526 1/20 0.32
HTR2A P28223 1/20 0.32
GRM2 Q14416 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
EED O75530 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL4027984 0.93 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2MC4RHCRTR1
SCHEMBL4027024 0.93 HTR2A (0.35) TAS1R3TAS1R1TAS1R2PIN1HTR2A
SCHEMBL4029269 0.92 KDM2B (0.35) TAS1R3TAS1R1TAS1R2MGLLHRH2
SCHEMBL4022304 0.89 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2MC4RHCRTR1
SCHEMBL4028177 0.89 CARM1 (0.35) TAS1R3TAS1R1TAS1R2MGLLHRH2
SCHEMBL4024780 0.86 KDM4E (0.34) TAS1R3TAS1R1TAS1R2
SCHEMBL4019668 0.86 HRH2 (0.34) TAS1R3TAS1R1TAS1R2MC4RMGLL
SCHEMBL4027811 0.86 KDM1A (0.34) TAS1R3TAS1R1TAS1R2
SCHEMBL4023645 0.85 KDM2B (0.39) TAS1R3TAS1R1TAS1R2MC4RMEN1
SCHEMBL4749430 0.85 KIF11 (0.35) TAS1R3TAS1R1TAS1R2MGLLHRH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed