SCHEMBL7774151

SCHEMBL7774151

O=C(NCCN1CC2CC(c3cccc4ccccc34)C2C1)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
SLC6A4 P31645 1/20 0.43
DRD3 P35462 3/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 4/20 0.43
PREP P48147 1/20 0.42
ADRA1B P35368 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PPARG P37231 1/20 0.40
BCHE P06276 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
SCHEMBL7817813 0.89 HTR2C (0.49) HPGDDRD3DRD2DRD4MTNR1A
SCHEMBL7781216 0.86 HPGD (0.52) HPGDSLC6A4DRD3DRD2DRD4
SCHEMBL8882719 0.86 HPGD (0.52) HPGDSLC6A4DRD3DRD4PREP
SCHEMBL7778725 0.86 PLD1 (0.51) HPGDSLC6A4DRD3
SCHEMBL7811687 0.83 CCR2 (0.46) HPGDDRD4
SCHEMBL7811689 0.83 DRD4 (0.51) HPGDDRD2DRD4MTNR1AMTNR1B
SCHEMBL8576249 0.83 F10 (0.39) HPGDDRD3DRD2MTNR1AMTNR1B
SCHEMBL7781808 0.78 HTR2C (0.43) DRD3DRD2DRD4
SCHEMBL10720014 0.78 HPGD (0.70) HPGDSLC6A4DRD3DRD2DRD4
SCHEMBL7814210 0.77 HTR1A (0.43) HPGDDRD3DRD2DRD4

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 5 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
EP-0775113-B1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USEFUL AS NEUROLEPTICS BASF AG (DE) 2001-04-11 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-0775113-A1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USEFUL AS NEUROLEPTICS BASF AKTIENGESELLSCHAFT (DE) 1997-05-28 EP disclosed
WO-1996004245-A1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USEFUL AS NEUROLEPTICS BASF AKTIENGESELLSCHAFT (DE) 1996-02-15 WO disclosed