SCHEMBL8930459

SCHEMBL8930459

CC1CN(C2=Nc3ccccc3Oc3ccccc32)C(C)CN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.49
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 4/20 0.40
DRD2 P14416 4/20 0.40
DRD4 P21917 4/20 0.40
DRD3 P35462 4/20 0.40
HRH2 P25021 3/20 0.40
HRH1 P35367 3/20 0.40
CHRM1 P11229 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ADRB2 P07550 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
HTR1A P08908 2/20 0.40
CHRM5 P08912 2/20 0.40
ADRA2A P08913 2/20 0.40

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
SCHEMBL8930445 0.76 HRH4 (0.60) HRH4HTR2AHTR2CHTR2BDRD2
SCHEMBL3414283 0.71 DRD2 (0.57) HRH4HTR2AHTR2CHTR2BDRD2
SCHEMBL3414284 0.71 DRD2 (0.57) HRH4HTR2AHTR2CHTR2BDRD2
SCHEMBL3414282 0.71 DRD2 (0.57) HRH4HTR2AHTR2CHTR2BDRD2
SCHEMBL9406437 0.70 HTR2A (0.45) HRH4HTR2AHTR2CHTR2BDRD2
SCHEMBL9406423 0.68 HTR2A (0.51) HRH4HTR2AHTR2CHTR2BDRD2
SCHEMBL172210 0.68 HRH4 (0.65) HRH4HTR2AHTR2CHTR2BDRD2
SCHEMBL3557231 0.67 SIGMAR1 (0.49) HTR2AHTR2CHTR2BPIM1SIGMAR1
SCHEMBL6802931 0.67 SIGMAR1 (0.49) HTR2AHTR2CHTR2BPIM1SIGMAR1
SCHEMBL140907 0.66 HRH4 (1.00) HRH4HTR2AHTR2CHTR2BDRD2

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