SCHEMBL7778600

SCHEMBL7778600

COc1ccccc1N1CCN(CCc2ccccn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.66
ADRA1D P25100 1/20 0.66
ADRA1B P35368 1/20 0.66
DRD2 P14416 6/20 0.63
DRD3 P35462 3/20 0.61
HTR1A P08908 3/20 0.59

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
SCHEMBL8648859 0.93 DRD2 (0.68) ADRA1AADRA1DADRA1BDRD2DRD3
SCHEMBL9035759 0.81 ADRA1A (0.80) ADRA1AADRA1DADRA1BDRD2DRD3
SCHEMBL16026529 0.80 THRB (0.61) ADRA1AADRA1DADRA1B
SCHEMBL29922137 0.80 THRB (0.61) ADRA1AADRA1DADRA1B
SCHEMBL6070007 0.80 MAPT (0.51) ADRA1AADRA1DADRA1BDRD2DRD3
SCHEMBL6069904 0.80 MAPT (0.51) ADRA1AADRA1DADRA1BDRD2DRD3
SCHEMBL5442134 0.80 ADRA1D (1.00) ADRA1AADRA1DADRA1BDRD2DRD3
SCHEMBL74384 0.79 ADRA1A (0.85) ADRA1AADRA1DADRA1BDRD2DRD3
SCHEMBL6475458 0.79 HTR1A (0.66) ADRA1AADRA1DADRA1BHTR1A
SCHEMBL6475314 0.79 HTR1A (0.62) ADRA1AADRA1DADRA1BDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123926-A1 Piperazine derivatives for treatment of CNS disorders JOHN WYETH & BROTHER LIMITED (GB) 2001-08-16 EP disclosed
EP-0690845-B1 PIPERAZINE DERIVATIVES AS 5-HT1A LIGANDS WYETH JOHN & BROTHER LTD (GB) 1998-09-09 EP disclosed
US-5693642-A ANXIOLYTIC AND HYPOTENSIVE AGENTS; ANTIDEPRESSANTS; PSYCHOLOGICAL DISORDERS; CONTROLLERS OF SLEEP/WAKE CYCLE, EATING AND SEXUAL DISORDERS JOHN WYETH & BROTHER LTD. (GB) 1997-12-02 US disclosed
EP-0690845-A1 PIPERAZINE DERIVATIVES AS 5-HT1A LIGANDS JOHN WYETH & BROTHER LIMITED (GB) 1996-01-10 EP disclosed
EP-0502169-B1 PIPERAZINE DERIVATIVES WYETH JOHN & BROTHER LTD (GB) 1996-01-03 EP disclosed
US-5369103-A Anxiolytic agents, cental nervous system disorders JOHN WYETH & BROTHER, LIMITED (GB) 1994-11-29 US disclosed
WO-1994021610-A1 PIPERAZINE DERIVATIVES AS 5-HT1A LIGANDS JOHN WYETH & BROTHER LIMITED (GB) 1994-09-29 WO 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-0506905-A1 PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1992-10-07 EP disclosed
EP-0502169-A1 PIPERAZINE DERIVATIVES. WYETH JOHN & BROTHER LTD (GB) 1992-09-09 EP disclosed
WO-1992006960-A1 PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1992-04-30 WO disclosed
WO-1992006082-A1 PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1992-04-16 WO disclosed