SCHEMBL9054635

SCHEMBL9054635

Cc1cc2c(N3CCN(C)CC3)cccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.45
DRD3 P35462 3/20 0.45
HTR1A P08908 8/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HRH4 Q9H3N8 2/20 0.44
ADRA2C P18825 1/20 0.44
MAPK1 P28482 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2A P28223 5/20 0.42
MAPT P10636 3/20 0.42
USP2 O75604 1/20 0.42
THRB P10828 1/20 0.42
DRD4 P21917 1/20 0.41
HTR2C P28335 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
PTK2B Q14289 1/20 0.41

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
SCHEMBL9054630 0.83 DRD2 (0.44) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL9050996 0.80 HTR1A (0.44) DRD2DRD3HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL6017101 0.79 HTR1A (0.43) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL9051452 0.79 KDM4E (0.46) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL2056185 0.76 DRD2 (0.57) DRD2HTR1AHTR2AHTR2C
SCHEMBL8549470 0.76 MAPT (0.46) HTR1AHTR1DHTR1BMAPK1KDM4E
SCHEMBL13169913 0.73 HRH4 (0.52) HRH4MAPK1HTR2CHTTALDH1A1
Hydrochloric Acid SCHEMBL3680678 0.72 HRH4 (0.51) HRH4MAPK1HTR2CHTTALDH1A1
SCHEMBL6313298 0.70 HTR1A (0.63) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL6002177 0.69 HTR1A (0.62) DRD2DRD3HTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 WO claimed
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 WO disclosed