SCHEMBL4776847

SCHEMBL4776847

Cc1c(F)cccc1[C@H]1[CH]CN(CCCCCO)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 4/20 0.33
HTR1A P08908 6/20 0.32
DRD1 P21728 6/20 0.32
DRD4 P21917 6/20 0.32
DRD5 P21918 6/20 0.32
DRD3 P35462 6/20 0.32
DRD2 P14416 5/20 0.32
KDM2B Q8NHM5 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ESR1 P03372 1/20 0.31
ESRRB O95718 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
SCHEMBL4751428 0.90 KIF11 (0.34) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL4026066 0.89 ESR1 (0.32) KDM2BMEN1KMT2AESR1
SCHEMBL4809484 0.87 ADRB2 (0.33) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL4025458 0.86 NPC1 (0.36) KDM2BMEN1KMT2A
SCHEMBL4751290 0.84 ESRRG (0.34) ESRRGHTR1ADRD1DRD4DRD5
SCHEMBL4024173 0.84 KDM2B (0.33) KDM2BMEN1KMT2A
SCHEMBL4026418 0.83 KDM1A (0.32) KDM2B
SCHEMBL4020633 0.81 MEN1 (0.35) ESRRGKDM2BMEN1KMT2A
SCHEMBL4029040 0.81 DRD3 (0.35) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL4019458 0.80 DPP4 (0.35) ESRRGHTR1ADRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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