SCHEMBL8930455

SCHEMBL8930455

CC1CN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC(C)N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.66
DRD4 P21917 6/20 0.66
DRD2 P14416 3/20 0.66
HTR2A P28223 6/20 0.57
ADRA2A P08913 5/20 0.57
HTR1A P08908 5/20 0.57
HRH2 P25021 3/20 0.57
HRH1 P35367 3/20 0.57
HTR2C P28335 3/20 0.57
ADRB2 P07550 2/20 0.57
CHRM2 P08172 2/20 0.57
CHRM4 P08173 2/20 0.57
CHRM5 P08912 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
CHRM1 P11229 2/20 0.57
ADRA2B P18089 2/20 0.57
ADRA2C P18825 2/20 0.57
CHRM3 P20309 2/20 0.57
DRD1 P21728 2/20 0.57
DRD5 P21918 2/20 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
SCHEMBL172210 0.88 HRH4 (0.65) HRH4DRD4DRD2HTR2AADRA2A
SCHEMBL8930445 0.86 HRH4 (0.60) HRH4DRD4DRD2HTR2AADRA2A
Isoloxapine SCHEMBL2738975 0.80 HRH4 (1.00) HRH4DRD4DRD2HTR2AADRA2A
SCHEMBL2738976 0.80 DRD4 (0.82) HRH4DRD4DRD2HTR2AADRA2A
SCHEMBL3409699 0.79 DRD2 (0.68) HRH4DRD4DRD2HTR2AADRA2A
SCHEMBL4192075 0.77 HRH4 (0.83) HRH4DRD4DRD2HTR2AADRA2A
SCHEMBL3834014 0.77 HRH4 (1.00) HRH4DRD4DRD2HTR2AADRA2A
SCHEMBL8121764 0.76 HRH4 (0.62) HRH4DRD4DRD2HTR2AADRA2A
SCHEMBL8137133 0.76 HRH4 (0.62) HRH4DRD4DRD2HTR2AADRA2A
SCHEMBL8136830 0.76 HRH4 (0.62) HRH4DRD4DRD2HTR2AADRA2A

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
US-5602124-A ANTISEROTONINE AGENT ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1997-02-11 US disclosed
WO-1996018629-A1 5-HT2 RECEPTOR LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (US) 1996-06-20 WO disclosed