SCHEMBL6600239

SCHEMBL6600239

CC(C)(C)c1nc(N2CCCN(CCCCl)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.66
DRD3 P35462 20/20 0.66

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
SCHEMBL392268 0.95 DRD2 (0.66) DRD2DRD3
SCHEMBL2232549 0.91 DRD2 (0.67) DRD2DRD3
SCHEMBL6601712 0.88 DRD2 (0.68) DRD2DRD3
SCHEMBL392228 0.87 DRD2 (0.56) DRD2DRD3
SCHEMBL7655983 0.85 DRD3 (0.65) DRD2DRD3
SCHEMBL8205951 0.84 DRD2 (0.66) DRD2DRD3
SCHEMBL7450768 0.84 DRD2 (0.67) DRD2DRD3
SCHEMBL4767228 0.84 DRD2 (0.66) DRD2DRD3
SCHEMBL2347632 0.83 DRD2 (0.67) DRD2DRD3
Hydrochloric Acid SCHEMBL2347036 0.83 DRD2 (0.64) 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-0877744-B1 SUBSTITUTED AZA- AND DIAZACYCLOHEPTANE AND CYCLOOCTANE COMPOUNDS AND THEIR USE ABBOTT GMBH & CO KG (DE) 2004-08-11 EP disclosed
US-6352981-B1 TREAT DISORDERS WHICH RESPOND TO DOPAMINE D.SUB.3 LIGANDS SUCH AS SCHISTOSOMIASIS, SCHIZOPHRENIA, DEPRESSION, NEUROSES OR PSYCHOSES BASF AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed