SCHEMBL14715645

SCHEMBL14715645

COc1ccc(C(=O)NC2CCC(CCN3CCC(Oc4c(F)cc(F)cc4F)CC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.60
HTR2A P28223 9/20 0.60
CCR3 P51677 1/20 0.54
DRD2 P14416 5/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL3077845 1.00 DRD3 (0.60) DRD3HTR2ACCR3DRD2POLB
SCHEMBL14715694 0.89 DRD3 (0.57) DRD3HTR2ADRD2POLB
SCHEMBL3067409 0.89 DRD3 (0.57) DRD3HTR2ADRD2POLB
SCHEMBL4074116 0.89 DRD2 (0.55) DRD3HTR2ACCR3DRD2
SCHEMBL14715562 0.88 DRD3 (0.58) DRD3HTR2ACCR3DRD2POLB
SCHEMBL3079396 0.88 DRD3 (0.58) DRD3HTR2ACCR3DRD2POLB
SCHEMBL3085008 0.82 HTR2A (0.59) DRD3HTR2ACCR3DRD2POLB
SCHEMBL4057721 0.82 HTR2A (0.59) DRD3HTR2ACCR3DRD2POLB
SCHEMBL14715683 0.81 DRD3 (0.43) DRD3HTR2ADRD2
SCHEMBL14715752 0.80 HTR2A (0.59) DRD3HTR2ACCR3DRD2

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
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP claimed