SCHEMBL7354976

SCHEMBL7354976

CCCN1CCC[C@H](c2cccc(OS(=O)(=O)C(F)(F)F)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 1.00
DRD3 P35462 11/20 1.00
DRD1 P21728 7/20 1.00
DRD4 P21917 7/20 1.00
DRD5 P21918 7/20 1.00
ACHE P22303 1/20 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
SCHEMBL2856360 1.00 DRD2 (1.00) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3319127 1.00 DRD2 (1.00) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7352739 0.94 DRD2 (0.88) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7348621 0.93 DRD2 (0.88) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7351571 0.91 DRD2 (0.84) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7352788 0.88 DRD2 (1.00) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4819512 0.88 DRD2 (0.78) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7358180 0.86 DRD2 (0.76) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7347704 0.86 DRD2 (1.00) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7822642 0.84 DRD2 (0.72) DRD2DRD3DRD1DRD4DRD5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594024-A ANTIDEPRESSANTS; TREATMENT OF NARCOLEPSY, SCHIZOPHRENIA, DRUG ABUSE THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
EP-0641320-A1 NEW CENTRALLY ACTING SUBSTITUTED PHENYLAZACYCLOALKANES PHARMACIA & UPJOHN COMPANY (US) 1995-03-08 EP disclosed
WO-1992018475-A2 SUBSTITUTED PHENYLAZACYCLOALKANES AS CNS AGENTS THE UPJOHN COMPANY (US) 1992-10-29 WO disclosed