SCHEMBL7779069

SCHEMBL7779069

O=C(CCCN1CC2CC(c3cccc(F)c3)C2C1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.52
DRD4 P21917 3/20 0.50
DRD3 P35462 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
DRD1 P21728 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL7774136 0.91 DRD2 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL7781094 0.90 DRD2 (0.60) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8989763 0.89 DRD3 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL7774094 0.88 DRD2 (0.46) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL7781796 0.86 DRD2 (0.55) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8989708 0.86 DRD2 (0.52) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8989759 0.85 DRD2 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL7781043 0.84 DRD2 (0.62) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8989692 0.84 DRD2 (0.48) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8989729 0.83 ALDH1A1 (0.49) DRD2DRD4DRD3MEN1KMT2A

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-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