SCHEMBL7778616

SCHEMBL7778616

OC(CCCN1CC2C(C1)C(c1ccccc1)C2c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.58
SIGMAR1 Q99720 5/20 0.51
DRD2 P14416 3/20 0.51
DRD3 P35462 2/20 0.51
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTR1A P08908 1/20 0.48
HTR5A P47898 1/20 0.47
HTR2A P28223 1/20 0.46

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
SCHEMBL7779086 0.84 SLC18A3 (0.56) SLC18A3SIGMAR1DRD2DRD3SLC6A4
SCHEMBL7781788 0.79 SLC18A3 (0.50) SLC18A3SIGMAR1DRD2DRD3SLC6A4
SCHEMBL8989690 0.77 DRD2 (0.67) SLC18A3SIGMAR1DRD2DRD3KDM4E
SCHEMBL8989703 0.77 SLC18A3 (0.47) SLC18A3SIGMAR1DRD2DRD3KDM4E
SCHEMBL8179864 0.76 SIGMAR1 (0.56) SLC18A3SIGMAR1DRD2DRD3SLC6A4
SCHEMBL8989705 0.75 SLC18A3 (0.43) SLC18A3SIGMAR1DRD2DRD3KDM4E
SCHEMBL7779070 0.75 SLC18A3 (0.46) SLC18A3SIGMAR1DRD2DRD3KDM4E
SCHEMBL9076786 0.74 HTR2A (0.62) SIGMAR1DRD2DRD3SLC6A4SLC6A3
SCHEMBL8989762 0.74 SLC18A3 (0.45) SLC18A3SIGMAR1DRD2DRD3KDM4E
SCHEMBL8989700 0.74 GRIN2B (0.45) SLC18A3SIGMAR1DRD2DRD3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133293-A1 USE OF N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000030639-A1 USE OF N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM BASF AKTIENGESELLSCHAFT (DE) 2000-06-02 WO disclosed
EP-0646110-B1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS BASF AG (DE) 1996-10-23 EP disclosed
US-5521209-A N-substituted azabicyclo[3.2.0]heptane derivatives as neuroleptics, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1996-05-28 US disclosed
EP-0646110-A1 N-SUBSTITUED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS ETC. BASF AG (DE) 1995-04-05 EP disclosed
WO-1994000431-A1 N-SUBSTITUED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS ETC. BASF AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed