SCHEMBL8989705

SCHEMBL8989705

Nc1ccc(C2CC3CN(CCCC(O)c4ccc(F)cc4)CC32)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 7/20 0.42
DRD2 P14416 6/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD3 P35462 4/20 0.40
LMNA P02545 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL8989703 0.94 SLC18A3 (0.47) SLC18A3SIGMAR1DRD2KDM4ECYP1A2
SCHEMBL7781788 0.89 SLC18A3 (0.50) SLC18A3SIGMAR1DRD2KDM4ECYP1A2
SCHEMBL7779086 0.89 SLC18A3 (0.56) SLC18A3SIGMAR1DRD2KDM4ECYP1A2
SCHEMBL8989738 0.87 SLC18A3 (0.42) SLC18A3SIGMAR1DRD2KDM4ECYP1A2
SCHEMBL9010705 0.83 SCN5A (0.44) SLC18A3SIGMAR1DRD2KDM4ECYP1A2
SCHEMBL8989762 0.81 SLC18A3 (0.45) SLC18A3SIGMAR1DRD2KDM4ECYP1A2
SCHEMBL8989692 0.81 DRD2 (0.48) DRD2KDM4EDRD3
SCHEMBL7779070 0.80 SLC18A3 (0.46) SLC18A3SIGMAR1DRD2KDM4ECYP1A2
SCHEMBL8989700 0.80 GRIN2B (0.45) SLC18A3SIGMAR1DRD2CYP1A2GAA
SCHEMBL9010739 0.79 SLC18A3 (0.44) SLC18A3SIGMAR1DRD2KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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