SCHEMBL7778722

SCHEMBL7778722

O=C(NCCN1CC2CC(c3ccccc3)C2C1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
SIGMAR1 Q99720 2/20 0.48
PLD1 Q13393 3/20 0.45
HPGD P15428 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
GAA P10253 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL7781191 0.93 KDM4E (0.52) KDM1AHDAC6SIGMAR1SLC6A2SLC6A4
SCHEMBL8989699 0.92 PLD1 (0.56) KDM1AHDAC6PLD1CD274HTR2C
SCHEMBL7774077 0.92 PLD1 (0.53) KDM1AHDAC6PLD1CD274
SCHEMBL7778696 0.88 PLD1 (0.50) PLD1SLC6A2SLC6A4
SCHEMBL7781108 0.85 PLD1 (0.53) KDM1AHDAC6PLD1CD274
SCHEMBL7781120 0.85 CCR3 (0.53) SIGMAR1PLD1SLC6A2SLC6A4
SCHEMBL8989753 0.85 CCR3 (0.50) PLD1
SCHEMBL8989765 0.85 SIGMAR1 (0.58) SIGMAR1SLC6A2SLC6A4
SCHEMBL7817609 0.84 HTR1A (0.46) PLD1CD274SLC6A4
SCHEMBL7817813 0.83 HTR2C (0.49) PLD1HPGDHTR2C

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