SCHEMBL5505590

SCHEMBL5505590

CCc1nnc(SCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)n1C

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.59
DRD3 P35462 20/20 0.59

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
Hydrochloric Acid SCHEMBL390932 0.99 DRD2 (0.58) DRD2DRD3
Hydrochloric Acid SCHEMBL388264 0.89 DRD2 (0.55) DRD2DRD3
SCHEMBL6179407 0.89 DRD2 (0.60) DRD2DRD3
SCHEMBL390840 0.89 DRD2 (0.60) DRD2DRD3
Hydrochloric Acid SCHEMBL388283 0.88 DRD2 (0.59) DRD2DRD3
Hydrochloric Acid SCHEMBL393384 0.88 DRD2 (0.59) DRD2DRD3
Hydrochloric Acid SCHEMBL389910 0.86 DRD2 (0.60) DRD2DRD3
Hydrochloric Acid SCHEMBL393405 0.85 DRD2 (0.45) DRD2DRD3
SCHEMBL4389023 0.85 DRD3 (0.48) DRD2DRD3
SCHEMBL7452459 0.85 DRD3 (0.59) DRD2DRD3

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-1817037-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-15 EP disclosed
WO-2006058753-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-06-08 WO disclosed