SCHEMBL7371503

SCHEMBL7371503

O=C(CBr)C1(c2ccc3ccccc3c2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
OPRM1 P35372 1/20 0.45
PTPN1 P18031 1/20 0.45
SLC6A3 Q01959 10/20 0.44
SLC6A4 P31645 9/20 0.44
SLC6A2 P23975 3/20 0.44

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
SCHEMBL27511149 0.85 OPRM1 (0.51) HDAC1OPRM1SLC6A3SLC6A4SLC6A2
SCHEMBL8110644 0.81 AKR1C1 (0.59) HDAC1OPRM1SLC6A3SLC6A4SLC6A2
SCHEMBL16507538 0.80 AKR1C1 (0.58)
SCHEMBL8105060 0.80 HDAC1 (0.50) HDAC1OPRM1SLC6A3SLC6A4SLC6A2
SCHEMBL7366815 0.80 HDAC1 (0.50) HDAC1OPRM1SLC6A3SLC6A4SLC6A2
SCHEMBL7047849 0.77 SLC6A3 (0.47) OPRM1SLC6A3SLC6A4SLC6A2
SCHEMBL3520383 0.76 AKR1C1 (0.62) HDAC1SLC6A3SLC6A4SLC6A2
SCHEMBL7369535 0.76 SLC6A4 (0.44) HDAC1SLC6A3SLC6A4SLC6A2
SCHEMBL1769960 0.74 HDAC4 (0.54) HDAC1
SCHEMBL4839505 0.74 SLC6A4 (0.44) HDAC1OPRM1SLC6A3SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970090-B1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL GMBH (DE) 2002-06-05 EP disclosed
US-6187802-B1 3-(1-(3,4-DICHLOROPHENYL)CYCLOBUTYL)-5,6-DIHYDROIMIDAZO(2,1-B) THIAZOLE, FOR EXAMPLE; ADMINISTERING TO TREAT DEPRESSION, ANXIETY, PARKINSON'S DISEASE, OBESITY, COGNITIVE DISORDERS, SEIZURES, AND FOR NEUROPROTECTION AGAINST STROKE KNOLL AKTIENGESELLSCHAFT (DE) 2001-02-13 US disclosed
EP-0970090-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE Knoll AG (DE) 2000-01-12 EP disclosed
EP-0715620-B1 1-ARYLCYCLOALKYL SULPHIDES, SULPHOXIDES AND SULPHONES FOR THE TREATMENT OF DEPRESSION, ANXIETY AND PARKINSON'S DISEASE KNOLL AG (DE) 1998-10-28 EP disclosed
WO-1998041528-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
US-5652271-A ANTIDEPRESSANTS, NERVOUS SYSTEM DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 1997-07-29 US disclosed
EP-0715620-A1 1-ARYLCYCLOALKYL SULPHIDES, SULPHOXIDES AND SULPHONES FOR THE TREATMENT OF DEPRESSION, ANXIETY AND PARKINSON'S DISEASE Knoll AG (DE) 1996-06-12 EP disclosed
WO-1994026704-A1 1-ARYLCYCLOALKYL SULPHIDES, SULPHOXIDES AND SULPHONES FOR THE TREATMENT OF DEPRESSION, ANXIETY AND PARKINSON'S DISEASE THE BOOTS COMPANY PLC (GB) 1994-11-24 WO disclosed