SCHEMBL7343246

SCHEMBL7343246

COc1ccccc1N1CCN(CCCCN2C(=O)NCC2c2cccc(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 10/20 0.55
ADRA1D P25100 9/20 0.55
ADRA1B P35368 9/20 0.55
DRD2 P14416 3/20 0.54
DRD3 P35462 3/20 0.54
HTR7 P34969 3/20 0.52
HTR1A P08908 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX12 P18054 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL7355250 0.91 HTR1A (0.52) ADRA1AADRA1DADRA1BDRD2DRD3
SCHEMBL7350906 0.84 KCNH2 (0.67) HTR1AALDH1A1
SCHEMBL7347718 0.83 KCNH2 (0.53) DRD2DRD3HTR1AHSD17B10
SCHEMBL7343619 0.79 KCNH2 (0.54) DRD2HTR7
SCHEMBL7353705 0.79 KCNH2 (0.52) ADRA1ADRD3HTR1A
SCHEMBL27715320 0.78 KCNH2 (0.72) ADRA1ADRD2DRD3HTR7HTR1A
SCHEMBL7347383 0.76 SLC6A3 (0.43)
SCHEMBL9368409 0.74 DRD4 (0.59) ADRA1AADRA1DADRA1BDRD2DRD3
SCHEMBL7351875 0.74 ADRA1A (0.56) ADRA1AADRA1DADRA1BDRD2DRD3
SCHEMBL7343240 0.74 DRD2 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536279-A1 SUBSTITUTED 1-(ALKOXYPHENYL)PIPERAZINES WITH CNS AND ANTIHYPERTENSIVE ACTIVITY THE UPJOHN COMPANY (US) 1993-04-14 EP claimed
WO-1992000282-A1 SUBSTITUTED 1-(ALKOXYPHENYL)PIPERAZINES WITH CNS AND ANTIHYPERTENSIVE ACTIVITY THE UPJOHN COMPANY (US) 1992-01-09 WO claimed
EP-0536279-A1 SUBSTITUTED 1-(ALKOXYPHENYL)PIPERAZINES WITH CNS AND ANTIHYPERTENSIVE ACTIVITY THE UPJOHN COMPANY (US) 1993-04-14 EP disclosed
WO-1992000282-A1 SUBSTITUTED 1-(ALKOXYPHENYL)PIPERAZINES WITH CNS AND ANTIHYPERTENSIVE ACTIVITY THE UPJOHN COMPANY (US) 1992-01-09 WO disclosed