SCHEMBL9035759

SCHEMBL9035759

COc1ccccc1N1CCN(CCc2ccncc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.80
ADRA1D P25100 4/20 0.80
ADRA1B P35368 4/20 0.80
HTR1A P08908 4/20 0.66
DRD2 P14416 4/20 0.64
DRD1 P21728 1/20 0.63
HTR2A P28223 1/20 0.63
HTR2C P28335 1/20 0.63
DRD3 P35462 1/20 0.61

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
SCHEMBL5442134 0.89 ADRA1D (1.00) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL9698421 0.83 ADRA1D (0.56) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL7778600 0.81 ADRA1A (0.66) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL27483382 0.80 ADRA1A (0.73) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL6526368 0.80 DRD2 (0.85) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL10747609 0.80 ADRA1D (0.72) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL6070108 0.79 DRD2 (0.51) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL6070259 0.79 DRD2 (0.51) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL8648856 0.79 ADRA1D (0.64) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL3261221 0.79 DRD2 (1.00) ADRA1AADRA1DADRA1BHTR1ADRD2

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-0502169-B1 PIPERAZINE DERIVATIVES WYETH JOHN & BROTHER LTD (GB) 1996-01-03 EP disclosed
US-5346896-A 1-(aryl or heteroaryl)-4[ω-(aryl or heteroaryl)ω-(aryl or heteroaryl)alkylene]piperazines JOHN WYETH & BROTHER, LIMITED (GB) 1994-09-13 US disclosed
EP-0502169-A1 PIPERAZINE DERIVATIVES. WYETH JOHN & BROTHER LTD (GB) 1992-09-09 EP disclosed
WO-1992006082-A1 PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1992-04-16 WO disclosed