SCHEMBL7781191

SCHEMBL7781191

O=C(NCCCN1CC2CC(c3ccccc3)C2C1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CCR3 P51677 1/20 0.48
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
DRD4 P21917 1/20 0.45
KDM1A O60341 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL7778722 0.93 KDM1A (0.50) SIGMAR1SLC6A2SLC6A4HTR2CKDM1A
SCHEMBL8989765 0.92 SIGMAR1 (0.58) KDM4EALDH1A1SMN1; SMN2TMEM97SIGMAR1
SCHEMBL7781120 0.92 CCR3 (0.53) KDM4EALDH1A1SMN1; SMN2CCR3TMEM97
SCHEMBL8989753 0.92 CCR3 (0.50) KDM4EALDH1A1SMN1; SMN2CCR3DRD2
SCHEMBL7779077 0.87 CCR3 (0.57) CCR3DRD2SLC6A2SLC6A4DRD4
SCHEMBL7778614 0.86 POLB (0.65) ALDH1A1SMN1; SMN2TMEM97
SCHEMBL7779073 0.86 KDM1A (0.48) ALDH1A1SMN1; SMN2CCR3DRD2DRD3
SCHEMBL8989699 0.85 PLD1 (0.56) ALDH1A1SMN1; SMN2CCR3DRD2DRD3
SCHEMBL7774077 0.85 PLD1 (0.53) ALDH1A1SMN1; SMN2CCR3DRD2HTR1A
SCHEMBL8989754 0.83 DRD2 (0.48) ALDH1A1SIGMAR1DRD2DRD3SLC6A4

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-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