SCHEMBL4608741

SCHEMBL4608741

CC(=CCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1)CSc1nnc(N)n1C

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.51
DRD3 P35462 20/20 0.51

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
SCHEMBL4608737 1.00 DRD2 (0.51) DRD2DRD3
SCHEMBL2350233 0.79 DRD2 (0.61) DRD2DRD3
SCHEMBL2350239 0.79 DRD2 (0.61) DRD2DRD3
Hydrochloric Acid SCHEMBL1764081 0.78 DRD2 (0.60) DRD2DRD3
Hydrochloric Acid SCHEMBL1764083 0.78 DRD2 (0.60) DRD2DRD3
SCHEMBL390840 0.72 DRD2 (0.60) DRD2DRD3
SCHEMBL6179407 0.72 DRD2 (0.60) DRD2DRD3
Hydrochloric Acid SCHEMBL393384 0.71 DRD2 (0.59) DRD2DRD3
Hydrochloric Acid SCHEMBL388283 0.71 DRD2 (0.59) DRD2DRD3
SCHEMBL2350273 0.71 DRD2 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272187-B1 DOPAMINE-D3 RECEPTOR LIGANDS FOR THE TREATMENT OF ADDICTION ABBOTT GMBH & CO KG (DE) 2008-07-30 EP claimed