SCHEMBL8778611

SCHEMBL8778611

[CH2]CCCCCCCOc1ccc(C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.48
PDIA6 Q15084 1/20 0.47
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 3/20 0.43

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
SCHEMBL5258185 0.86 DRD2 (0.51) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL17637581 0.84 DRD2 (0.61) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL9252588 0.83 NR5A1 (0.56) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL11375096 0.83 NR5A1 (0.56) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL14015787 0.83 NR5A1 (0.56) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL11369041 0.83 NR5A1 (0.56) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL3763682 0.82 DRD2 (0.58) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL26118017 0.81 TP53 (0.54) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL8955549 0.81 TP53 (0.54) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL19736015 0.81 DRD2 (0.54) DRD2DRD4DRD3RAB9ANPC1

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