SCHEMBL5170221

SCHEMBL5170221

Fc1ccc2[nH]cc(CN3CCCC3)c2c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.77
HTR1A P08908 3/20 0.62
KDM4E B2RXH2 3/20 0.61
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61
MAPK1 P28482 1/20 0.61
GPR84 Q9NQS5 2/20 0.61
JAK2 O60674 1/20 0.60
RAB9A P51151 1/20 0.60
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
HTR2A P28223 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
BCHE P06276 1/20 0.54
CYP2D6 P10635 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL9635445 0.88 MPO (0.73) MPOHTR1AGPR84DRD2DRD4
SCHEMBL13499605 0.87 MPO (1.00) MPOHTR1AGPR84DRD2DRD4
SCHEMBL733997 0.85 MPO (1.00) MPOHTR1AHTR2A
SCHEMBL14375346 0.85 MPO (0.72) MPOHTR1AMAPK1GPR84DRD2
SCHEMBL733711 0.84 MPO (0.97) MPOHTR1AHTR2A
SCHEMBL13375737 0.83 MPO (0.69) MPOHTR1AMAPK1GPR84DRD2
SCHEMBL26508398 0.82 MPO (0.94) MPOHTR1AHTR2A
SCHEMBL5197968 0.82 LMNA (0.61) MPOKDM4ELMNAHTTMAPK1
SCHEMBL13374358 0.82 MPO (0.67) MPOHTR1AMAPK1GPR84DRD2
SCHEMBL8789588 0.81 LMNA (0.64) MPOHTR1AKDM4ELMNAHTT

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
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed