SCHEMBL8065712

SCHEMBL8065712

COc1ccccc1N1CCN(CC[C@@H](C(=O)N2CCCCCC2)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 1.00
HTR1D P28221 1/20 1.00
HTR2B P41595 1/20 1.00
ALDH1A1 P00352 4/20 0.67
LMNA P02545 2/20 0.67
KDM4E B2RXH2 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
DRD2 P14416 1/20 0.56
HTR2A P28223 1/20 0.56

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
SCHEMBL6546383 1.00 HTR1A (1.00) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL8442654 0.89 HTR1A (0.80) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL9004457 0.89 HTR1A (0.80) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL8442968 0.88 HTR1A (0.78) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL7453383 0.88 HTR1A (0.78) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL7458206 0.88 HTR1A (0.78) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL7460894 0.86 HTR1A (0.75) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL8762947 0.86 HTR1A (0.75) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL8444529 0.86 HTR1A (0.75) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL7452105 0.85 HTR1A (0.74) HTR1AHTR1DHTR2BALDH1A1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877612-B1 USE OF PIPERAZINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS WYETH JOHN & BROTHER LTD (GB) 2000-08-16 EP claimed
EP-0877612-A1 USE OF PIPERAZINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS JOHN WYETH & BROTHER LIMITED (GB) 1998-11-18 EP claimed
WO-1994009780-A1 USE OF PIPERAZINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS JOHN WYETH & BROTHER LIMITED (GB) 1994-05-11 WO claimed
EP-0877612-B1 USE OF PIPERAZINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS WYETH JOHN & BROTHER LTD (GB) 2000-08-16 EP disclosed
EP-0664799-B1 AMIDE DERIVATIVES WYETH JOHN & BROTHER LTD (GB) 1999-07-14 EP disclosed
EP-0877612-A1 USE OF PIPERAZINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS JOHN WYETH & BROTHER LIMITED (GB) 1998-11-18 EP disclosed
US-5637701-A Process for preparing optically active amide derivatives JOHN WYETH & BROTHER, LIMITED (GB) 1997-06-10 US disclosed
WO-1994009780-A1 USE OF PIPERAZINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS JOHN WYETH & BROTHER LIMITED (GB) 1994-05-11 WO disclosed