SCHEMBL8444546

SCHEMBL8444546

COc1ccccc1N1CCN(CC(NC(=O)C2CCCCC2)c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
DRD2 P14416 1/20 0.61
ADRA1A P35348 1/20 0.61
DRD3 P35462 1/20 0.61
HTR1A P08908 6/20 0.57
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
ALOX15 P16050 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 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
SCHEMBL8442858 0.85 HTR1A (0.65) ALDH1A1DRD2ADRA1ADRD3HTR1A
SCHEMBL7758380 0.84 DRD2 (0.61) ALDH1A1MEN1KMT2ADRD2ADRA1A
SCHEMBL8442569 0.81 HTR1A (0.55) ALDH1A1MEN1KMT2ADRD2ADRA1A
SCHEMBL8943598 0.81 HTR1A (0.59) ALDH1A1DRD2DRD3HTR1AHSD17B10
SCHEMBL8943611 0.81 HTR1A (0.59) ALDH1A1DRD2DRD3HTR1AHSD17B10
SCHEMBL7699930 0.80 HTR1A (0.62) ALDH1A1MEN1KMT2ADRD2ADRA1A
SCHEMBL8986202 0.79 DRD2 (0.49) DRD2ADRA1ADRD3HTR1ATSHR
SCHEMBL8444647 0.78 HTR1A (0.70) ALDH1A1MEN1KMT2ADRD2ADRA1A
SCHEMBL9258120 0.78 HTR1A (0.70) ALDH1A1MEN1KMT2ADRD2ADRA1A
SCHEMBL8442182 0.78 HTR1A (0.70) ALDH1A1MEN1KMT2ADRD2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395312-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1999-05-12 EP claimed
US-5340812-A Antiserotonin. anxiolytic agents JOHN WYETH & BROTHER, LIMITED (GB) 1994-08-23 US claimed
EP-0395312-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1990-10-31 EP claimed
EP-0395312-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1999-05-12 EP disclosed
US-5541326-A PHARMACEUTICAL COMPOSITION USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS JOHN WYETH & BROTHER, LIMITED (GB) 1996-07-30 US disclosed
US-5420278-A ω-(4-aryl or heteroarylpiperazine-1-yl)-2-aryl or aralkyl-propanoic or butanoic acids JOHN WYETH & BROTHER, LIMITED (GB) 1995-05-30 US disclosed
US-5382583-A Hydroxytryptamine antagonists JOHN WYETH & BROTHER, LIMITED (GB) 1995-01-17 US disclosed
US-5364849-A Treatment of anxiety JOHN WYETH & BROTHER, LIMITED (GB) 1994-11-15 US disclosed
US-5340812-A Antiserotonin. anxiolytic agents JOHN WYETH & BROTHER, LIMITED (GB) 1994-08-23 US disclosed
EP-0395312-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1990-10-31 EP disclosed