SCHEMBL5994604

SCHEMBL5994604

Fc1ccc(C(SCCNCCc2ccccc2C(F)(F)F)c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.58
DRD4 P21917 3/20 0.58
DRD3 P35462 3/20 0.58
SLC6A3 Q01959 1/20 0.58
TACR1 P25103 1/20 0.37
DAO P14920 1/20 0.37

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
SCHEMBL7434179 0.91 SLC6A3 (0.49) DRD2DRD4DRD3SLC6A3DAO
SCHEMBL7438508 0.78 SLC6A3 (0.39) DRD2DRD4DRD3SLC6A3TACR1
SCHEMBL7443882 0.78 SLC6A4 (0.60) SLC6A3
SCHEMBL7424758 0.77 SLC6A3 (0.57) DRD2DRD4DRD3SLC6A3
SCHEMBL2498395 0.76 DRD2 (0.59) DRD2DRD4DRD3SLC6A3TACR1
SCHEMBL7437721 0.74 SLC6A3 (1.00) DRD2DRD4DRD3SLC6A3
Trifluoromethylbenzene SCHEMBL8846975 0.73 DRD2 (0.56) DRD2DRD4DRD3SLC6A3
SCHEMBL6441045 0.72 DRD2 (0.57) DRD2DRD4DRD3SLC6A3
SCHEMBL24676414 0.70 SLC6A3 (0.90) DRD2DRD4DRD3SLC6A3
SCHEMBL17329111 0.69 IDO1 (0.59) DAO

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39300-E1 Inhibiting the development of tolerance to and/or dependence on an addictive substance VIRGINIA COMMONWEALTH UNIVERSITY MEDICAL COLLEGE OF VIRGINIA (US) 2006-09-19 US disclosed
EP-0938305-B8 METHOD OF ALLEVIATING PAIN BY MEANS OF COMBINING TRAMADOL WITH AN NMDA ANTAGONIST ENDO PHARMACEUTICALS INC (US) 2005-10-19 EP disclosed
EP-0938305-B1 METHOD OF ALLEVIATING PAIN BY MEANS OF COMBINING TRAMADOL WITH AN NMDA ANTAGONIST ALGOS PHARM CORP (US) 2005-08-17 EP disclosed
EP-0942752-B1 ANTICONVULSANT CONTAINING COMPOSITION FOR TREATING NEUROPATHIC PAIN ALGOS PHARM CORP (US) 2005-04-20 EP disclosed
EP-0778770-B1 COMPOSITION ALLEVIATING PAIN, CONTAINING A NON-NARCOTIC ANALGESIC AND AN ANALGESIA ENHANCER UNIV VIRGINIA COMMONWEALTH (US) 2003-12-10 EP disclosed
US-6406716-B2 Anticonvulsant containing composition for treating neuropathic pain ENDO PHARMACEUTICALS INC. 2002-06-18 US disclosed
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP disclosed
US-20010008889-A1 Anticonvulsant containing composition for treating neuropathic pain ENDO PHARMACEUTICALS INC. 2001-07-19 US disclosed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
US-6043244-A Method and composition for treating migraine ALGOS PHARMACEUTICAL CORPORATION (US) 2000-03-28 US disclosed
WO-1998017268-A2 METHOD OF ALLEVIATING PAIN BY MEANS OF COMBINING TRAMADOL WITH AN NMDA ANTAGONIST ALGOS PHARMACEUTICAL CORPORATION (US) 1998-04-30 WO disclosed
WO-1998007447-A1 ANTICONVULSANT CONTAINING COMPOSITION FOR TREATING NEUROPATHIC PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-02-26 WO disclosed
US-5654281-A Inhibiting the development of tolerance to and/or dependence on an addictive substance VIRGINIA COMMONWEALTH UNIVERSITY (US) 1997-08-05 US disclosed
US-5556838-A BLOCKING N-METHYLASPARTATE RECEPTORS TO PREVENT ADDICTION VIRGINIA COMMONWEALTH UNIVERSITY (US) 1996-09-17 US disclosed
US-5502058-A Method for the treatment of pain VIRGINIA COMMONWEALTH UNIVERSITY (US) 1996-03-26 US disclosed
EP-0615749-A2 Use of NMDA antagonists for the treatment of pain VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-09-21 EP disclosed
EP-0608893-A1 Inhibiting the development of tolerance to and/or dependence on an additive substance VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-08-03 EP disclosed
US-5321012-A Inhibiting the development of tolerance to and/or dependence on a narcotic addictive substance VIRGINIA COMMONWEALTH UNIVERSITY MEDICAL COLLEGE (US) 1994-06-14 US disclosed
US-5171752-A BENZHYDRYL DERIVATIVES HAVING CALMODULIN INHIBITOR PROPERTIES AKZO N.V. (NL) 1992-12-15 US disclosed
EP-0467435-A2 Benzhydryl derivatives having calmodulin inhibitor properties Akzo Nobel N.V. (NL) 1992-01-22 EP disclosed