SCHEMBL7324838

SCHEMBL7324838

CCCN1CCN(c2cc(-c3ccc(F)cc3F)c3c(n2)CCCCCC3)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.64
HTR2A P28223 6/20 0.64
GRM2 Q14416 7/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
HTR1A P08908 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR3A P46098 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
DRD4 P21917 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 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
SCHEMBL7329565 0.92 DRD2 (0.77) DRD2HTR2AGRM2KDM4EALDH1A1
SCHEMBL7328659 0.92 DRD2 (0.77) DRD2HTR2AGRM2KDM4EALDH1A1
SCHEMBL7331312 0.88 DRD2 (0.71) DRD2HTR2AGRM2KDM4EALDH1A1
SCHEMBL7327581 0.88 DRD2 (0.58) DRD2HTR2AGRM2MAPTACHE
SCHEMBL7326283 0.87 DRD2 (0.84) DRD2HTR2AKDM4EALDH1A1LMNA
SCHEMBL7325078 0.81 HTR2A (0.80) DRD2HTR2AKDM4ELMNAMAPT
SCHEMBL7328292 0.80 HTR2A (0.79) DRD2HTR2ASIGMAR1HTR1ACYP1A2
Blonanserin SCHEMBL29379647 0.78 DRD2 (1.00) DRD2HTR2AKDM4EALDH1A1LMNA
Blonanserin SCHEMBL119669 0.78 DRD2 (1.00) DRD2HTR2AKDM4EALDH1A1LMNA
SCHEMBL7334897 0.78 DRD2 (1.00) DRD2HTR2AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385237-B1 2-(1-piperazinyl)-4-phenylcycloalkanopyridine derivatives, processes for the production thereof, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO (JP) 1994-06-29 EP disclosed
US-5021421-A Psychotropic agents DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-06-04 US disclosed
EP-0385237-A2 2-(1-piperazinyl)-4-phenylcycloalkanopyridine derivatives, processes for the production thereof, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1990-09-05 EP disclosed