SCHEMBL8930445

SCHEMBL8930445

CC1CN(C2=Nc3ccccc3Oc3ccccc32)CC(C)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.60
DRD2 P14416 6/20 0.49
DRD4 P21917 5/20 0.49
DRD3 P35462 4/20 0.49
HRH2 P25021 3/20 0.49
HRH1 P35367 3/20 0.49
CHRM1 P11229 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTR2C P28335 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
ADRB2 P07550 2/20 0.49
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
HTR1A P08908 2/20 0.49
CHRM5 P08912 2/20 0.49
ADRA2A P08913 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
ADRA2B P18089 2/20 0.49

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
SCHEMBL8930455 0.86 HRH4 (0.66) HRH4DRD2DRD4DRD3HRH2
SCHEMBL8930459 0.76 HRH4 (0.49) HRH4DRD2DRD4DRD3HRH2
SCHEMBL167601 0.75 DRD2 (0.74) HRH4DRD2DRD4DRD3HRH2
SCHEMBL29969899 0.75 DRD2 (0.74) HRH4DRD2DRD4DRD3HRH2
SCHEMBL140907 0.75 HRH4 (1.00) HRH4DRD2DRD4DRD3HRH2
SCHEMBL11480248 0.75 HRH4 (0.73) HRH4DRD2DRD4DRD3HRH2
Hydrochloric Acid SCHEMBL5606161 0.74 HRH4 (0.97) HRH4DRD2DRD4DRD3HRH2
SCHEMBL172210 0.74 HRH4 (0.65) HRH4DRD2DRD4DRD3HRH2
SCHEMBL7256287 0.72 HRH4 (0.76) HRH4DRD2DRD4DRD3HRH2
SCHEMBL7249840 0.72 HRH4 (0.72) HRH4DRD2DRD4DRD3HRH2

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