SCHEMBL8778541

SCHEMBL8778541

[CH2]CCCCCCCOc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.57
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 2/20 0.54
KCNH2 Q12809 1/20 0.54
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.48

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
SCHEMBL28540629 1.00 HRH3 (0.57) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL6470787 0.93 DRD2 (0.58) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL2000837 0.87 LMNA (0.59) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL9774806 0.83 DRD2 (0.60) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL9808215 0.82 LMNA (0.67) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL8955728 0.82 HRH3 (0.57) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL8035908 0.82 HRH3 (0.57) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL10632624 0.82 HRH3 (0.57) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL1685432 0.81 DRD2 (0.62) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL6846964 0.80 DRD2 (0.57) HRH3DRD2DRD4LMNAMAPK1

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
EP-0574355-B1 Phosphinyloxy propanaminium inner salt derivatives CIBA GEIGY AG (CH) 1997-08-13 EP claimed
EP-0574355-A1 Phosphinyloxy propanaminium inner salt derivatives SANDOZ LTD. (CH) 1993-12-15 EP claimed