SCHEMBL4022304

SCHEMBL4022304

Cc1c(F)cccc1C1[C@@H](C(=O)c2ccccc2F)CN(CCO)C[C@@H]1C(=O)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.35
CYP2D6 P10635 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
OPRM1 P35372 1/20 0.35
MC4R P32245 1/20 0.35
SLC6A1 P30531 3/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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 0.92 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL4023645 0.91 KDM2B (0.39) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL4028155 0.90 KMT2A (0.34) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL4025103 0.90 KDM2B (0.41) KMT2AMEN1KDM4EALDH1A1SLC6A1
SCHEMBL4019728 0.89 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL4020327 0.87 CPS1 (0.39) KMT2AMEN1KDM4EALDH1A1
SCHEMBL4749432 0.85 CYP2D6 (0.34) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL4027216 0.84 KMT2A (0.41) KMT2AMEN1ALDH1A1MC4R
SCHEMBL4019668 0.83 HRH2 (0.34) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL4020633 0.83 MEN1 (0.35) KMT2AMEN1OPRM1MC4R

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 5 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 claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO 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