SCHEMBL7781809

SCHEMBL7781809

O=C(NCCCN1CC2CC(c3ccc(F)cc3)C2C1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
POLB P06746 1/20 0.47
DRD2 P14416 3/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
KDM1A O60341 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CCR3 P51677 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PLD1 Q13393 1/20 0.44

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
SCHEMBL7779073 0.95 KDM1A (0.48) POLBDRD2DRD4DRD3HTR1A
SCHEMBL8989753 0.90 CCR3 (0.50) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL7781120 0.90 CCR3 (0.53) TMEM97SIGMAR1DRD2DRD4DRD3
SCHEMBL8989765 0.90 SIGMAR1 (0.58) TMEM97SIGMAR1DRD2DRD4DRD3
SCHEMBL7781108 0.88 PLD1 (0.53) DRD2HTR1AKDM1AHDAC6CCR3
SCHEMBL7781043 0.85 DRD2 (0.62) TMEM97SIGMAR1DRD2DRD4DRD3
SCHEMBL8989768 0.84 ALDH1A1 (0.49) TMEM97SIGMAR1DRD2HTR1AALDH1A1
SCHEMBL7071623 0.83 ALDH1A1 (0.51) TMEM97SIGMAR1DRD2DRD3HTR1A
SCHEMBL8989699 0.83 PLD1 (0.56) DRD2DRD3HTR1AKDM1AHDAC6
SCHEMBL7774077 0.83 PLD1 (0.53) DRD2HTR1AKDM1AHDAC6CCR3

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
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
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