SCHEMBL327007

SCHEMBL327007

CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4ccoc34)CC2)CC1.O=C(CC1COCCO1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4ccoc34)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.68
HTR2A P28223 20/20 0.68
DRD3 P35462 20/20 0.68

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
SCHEMBL326853 0.96 DRD2 (0.73) DRD2HTR2ADRD3
SCHEMBL326852 0.96 DRD2 (0.73) DRD2HTR2ADRD3
SCHEMBL1393666 0.89 DRD2 (0.75) DRD2HTR2ADRD3
SCHEMBL322164 0.89 DRD2 (0.75) DRD2HTR2ADRD3
SCHEMBL321862 0.85 DRD2 (0.78) DRD2HTR2ADRD3
SCHEMBL327108 0.85 DRD2 (0.78) DRD2HTR2ADRD3
SCHEMBL10161749 0.83 DRD2 (0.69) DRD2HTR2ADRD3
SCHEMBL1698621 0.81 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12074699 0.81 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698620 0.81 DRD2 (1.00) DRD2HTR2ADRD3

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-2590984-A1 ANELLATED PYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-15 EP claimed
WO-2012004206-A1 ANELLATED PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO claimed