SCHEMBL1387947

SCHEMBL1387947

COc1ccccc1N1CCN(CCOC(=O)Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.64
ADRA1A P35348 1/20 0.64
ADRA1B P35368 1/20 0.64
HTR1A P08908 2/20 0.61
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HTR7 P34969 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
DRD2 P14416 3/20 0.57
HTR2A P28223 1/20 0.57

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
SCHEMBL10365793 0.85 DRD2 (0.61) HTR1AALDH1A1KDM4ETDP1MEN1
SCHEMBL28729033 0.83 KDM4E (0.65) HTR1AALDH1A1KDM4ETDP1MEN1
SCHEMBL8444161 0.81 DRD2 (0.62) HTR1AALDH1A1KDM4ETDP1MEN1
SCHEMBL9652838 0.81 DRD2 (0.69) ADRA1AHTR1ADRD2
Ammonia Solution, Strong SCHEMBL8137510 0.80 HTR1A (0.58) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL5656389 0.79 ADRA1D (0.65) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL8445581 0.79 DRD2 (0.65) HTR1AALDH1A1KDM4ETDP1DRD2
Benzene SCHEMBL10433203 0.79 HTR1A (0.79) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL3160665 0.79 HTR1A (0.79) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL15743486 0.79 HTR1A (0.67) ADRA1DADRA1AADRA1BHTR1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09500883-A 1997-01-28 JP claimed
EP-0711288-A1 PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 1996-05-15 EP claimed
WO-1995004049-A1 PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-02-09 WO claimed
EP-0711288-A1 PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 1996-05-15 EP disclosed
WO-1995004049-A1 PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-02-09 WO disclosed