SCHEMBL9260412

SCHEMBL9260412

[CH2]C(O)(CO)CCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRK1 P41145 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL270529 0.70
SCHEMBL23451972 0.69 ALDH1A1 (0.37) MAPTSMN1; SMN2CYP2D6DRD2DRD4
SCHEMBL6432723 0.69
SCHEMBL9621390 0.69 MAPT (0.43) MAPTSMN1; SMN2DRD2DRD4OPRM1
SCHEMBL6847411 0.69 MAPT (0.43) MAPTSMN1; SMN2DRD2DRD4OPRM1
SCHEMBL14000101 0.68 MAPT (0.38) MAPTSMN1; SMN2DRD2OPRM1DRD3
SCHEMBL165308 0.67
SCHEMBL23451591 0.67 ALDH1A1 (0.35) MAPTSMN1; SMN2CYP2D6DRD2DRD4
SCHEMBL2496131 0.67
SCHEMBL13270248 0.66 DRD2 (0.41) MAPTSMN1; SMN2CYP2D6DRD2DRD4

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-0641188-A1 COSMETIC FILM FORMING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1995-03-08 EP disclosed
WO-1993024098-A1 COSMETIC FILM FORMING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1993-12-09 WO disclosed