SCHEMBL9788682

SCHEMBL9788682

CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CC2CCC3C2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.57
HTR2A P28223 5/20 0.57
HRH4 Q9H3N8 1/20 0.42
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL7425400 0.90 DRD2 (0.44) DRD2HTR2AKDM4EALDH1A1MAPT
SCHEMBL7332157 0.84 DRD2 (0.57) DRD2HTR2AHRH4HTTCYP1A2
SCHEMBL7327599 0.83 DRD2 (0.55) DRD2HTR2AHRH4HTTCYP1A2
SCHEMBL7333157 0.73 DRD2 (0.93) DRD2HTR2AHRH4HTTCYP1A2
Blonanserin SCHEMBL119669 0.72 DRD2 (1.00) DRD2HTR2AHRH4HTTCYP1A2
SCHEMBL7334897 0.72 DRD2 (1.00) DRD2HTR2AHRH4HTTCYP1A2
Blonanserin SCHEMBL29379647 0.72 DRD2 (1.00) DRD2HTR2AHRH4HTTCYP1A2
SCHEMBL9440217 0.72 DRD2 (0.63) DRD2HTR2AHRH4HTTCYP1A2
Blonanserin SCHEMBL28204389 0.72 DRD2 (0.98) DRD2HTR2AHRH4HTTCYP1A2
Blonanserin SCHEMBL28331931 0.72 DRD2 (0.98) DRD2HTR2AHRH4HTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021421-A Psychotropic agents DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-06-04 US disclosed