SCHEMBL8989759

SCHEMBL8989759

O=C(CCCN1CC2CC(c3cccnc3)C2C1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.53
DRD4 P21917 6/20 0.53
DRD3 P35462 5/20 0.53
HTR1A P08908 5/20 0.53
HTR2A P28223 5/20 0.53
HTR7 P34969 2/20 0.53
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR2C P28335 3/20 0.47
HRH1 P35367 2/20 0.47
ADRA2C P18825 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 3/20 0.45
SLC18A3 Q16572 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD1 P21728 1/20 0.45

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
SCHEMBL7781094 0.88 DRD2 (0.60) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL8989763 0.86 DRD3 (0.53) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL7779069 0.85 DRD2 (0.52) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL7781796 0.83 DRD2 (0.55) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL7774136 0.82 DRD2 (0.53) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL7781043 0.82 DRD2 (0.62) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL8989692 0.82 DRD2 (0.48) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL8989755 0.80 TSHR (0.48) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL8989740 0.80 DRD2 (0.54) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL8989754 0.80 DRD2 (0.48) DRD2DRD4DRD3HTR1AHTR2A

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