SCHEMBL7779073

SCHEMBL7779073

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CCR3 P51677 3/20 0.47
PLD1 Q13393 1/20 0.47
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 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
SCHEMBL7781809 0.95 TMEM97 (0.51) KDM1AHDAC6CCR3PLD1POLB
SCHEMBL8989753 0.95 CCR3 (0.50) CCR3PLD1NAMPTALDH1A1SMN1; SMN2
SCHEMBL7781120 0.95 CCR3 (0.53) CCR3PLD1NAMPTALDH1A1SMN1; SMN2
SCHEMBL7781108 0.93 PLD1 (0.53) KDM1AHDAC6CCR3PLD1NAMPT
SCHEMBL7774077 0.88 PLD1 (0.53) KDM1AHDAC6CCR3PLD1ALDH1A1
SCHEMBL8989699 0.88 PLD1 (0.56) KDM1AHDAC6CCR3PLD1ALDH1A1
SCHEMBL7781191 0.86 KDM4E (0.52) KDM1AHDAC6CCR3ALDH1A1SMN1; SMN2
SCHEMBL3896148 0.86 HTR3A (0.52) CCR3LMNANPSR1MAPTMAPK1
SCHEMBL3885648 0.86 HTR3A (0.52) CCR3LMNANPSR1MAPTMAPK1
SCHEMBL7778689 0.85 DRD4 (0.55) CCR3NAMPTSMN1; SMN2DRD2DRD4

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