SCHEMBL7781808

SCHEMBL7781808

O=C(NCCN1CC2CC(c3cccc4c(Cl)cccc34)C2C1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
DRD3 P35462 7/20 0.42
DRD2 P14416 5/20 0.41
DRD4 P21917 5/20 0.41
POLB P06746 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
PLD1 Q13393 2/20 0.39

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) HTR2CDRD3DRD2DRD4HTR1A
SCHEMBL7814210 0.83 HTR1A (0.43) HTR2CDRD3DRD2DRD4HTR1A
SCHEMBL7811687 0.83 CCR2 (0.46) DRD4POLBHTR1APLD1
SCHEMBL7778725 0.81 PLD1 (0.51) HTR2CDRD3HTR1AHTR2APLD1
SCHEMBL7778722 0.81 KDM1A (0.50) HTR2CPLD1
SCHEMBL7811689 0.79 DRD4 (0.51) DRD2DRD4POLBHTR1APLD1
SCHEMBL8989701 0.79 ALDH1A1 (0.49) HTR2CDRD3HTR1AHTR2APLD1
SCHEMBL7774151 0.78 HPGD (0.56) DRD3DRD2DRD4
SCHEMBL8576249 0.77 F10 (0.39) DRD3DRD2
SCHEMBL7774077 0.76 PLD1 (0.53) DRD2HTR1APLD1

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
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
US-5753690-A N-substituted azobicycloheptane derivatives, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1998-05-19 US 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