SCHEMBL8599796

SCHEMBL8599796

c1ccc(N2CCN(CCCc3ccc4n3CCCC4)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.56
KCNH2 Q12809 1/20 0.54
CYP2D6 P10635 1/20 0.50
DRD2 P14416 5/20 0.48
HTR1A P08908 2/20 0.48
DRD3 P35462 3/20 0.47
HTR2A P28223 2/20 0.47
HRH1 P35367 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
HTR7 P34969 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
DRD4 P21917 1/20 0.44
OPRM1 P35372 1/20 0.44

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
SCHEMBL7967634 0.88 HTR1A (0.51) SIGMAR1DRD2HTR1ADRD3HTR2A
SCHEMBL8600561 0.88 MAPT (0.47) SIGMAR1KCNH2DRD2HTR1ADRD3
SCHEMBL7957292 0.79 SIGMAR1 (0.52) SIGMAR1KCNH2CYP2D6DRD2HTR1A
SCHEMBL5988317 0.73 KCNH2 (0.88) SIGMAR1KCNH2CYP2D6DRD2HTR1A
SCHEMBL7718541 0.73 SIGMAR1 (1.00) SIGMAR1KCNH2CYP2D6DRD2HTR1A
SCHEMBL4528457 0.72 KCNH2 (1.00) SIGMAR1KCNH2CYP2D6DRD2HTR1A
SCHEMBL11762555 0.70 KCNH2 (0.69) SIGMAR1KCNH2CYP2D6DRD2HTR1A
SCHEMBL9041083 0.70 KCNH2 (0.80) SIGMAR1KCNH2CYP2D6DRD2HTR1A
SCHEMBL15961278 0.70 SIGMAR1 (0.79) SIGMAR1KCNH2DRD2HTR1AHTR2A
SCHEMBL11563433 0.70 SIGMAR1 (0.79) SIGMAR1KCNH2CYP2D6DRD2HTR1A

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
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed