SCHEMBL7533770

SCHEMBL7533770

CCC(NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.69
ADRB1 P08588 14/20 0.69
ADRB2 P07550 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
FPR2 P25090 1/20 0.41
MAPT P10636 2/20 0.40

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
Trifluoroacetic Acid SCHEMBL7533778 0.90 ADRB3 (0.73) ADRB3ADRB1ADRB2ITGB3ITGA2B
SCHEMBL6539511 0.85 ADRB3 (0.73) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6539484 0.85 ADRB3 (0.91) ADRB3ADRB1ADRB2MAPT
SCHEMBL7533764 0.83 ADRB3 (0.58) ADRB3ADRB1FPR2
Trifluoroacetic Acid SCHEMBL6539492 0.82 ADRB3 (0.73) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6539591 0.82 ADRB3 (0.91) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6539498 0.81 ADRB3 (0.75) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6538892 0.81 ADRB3 (0.79) ADRB3ADRB1ADRB2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL6539537 0.81 ADRB3 (0.81) ADRB3ADRB1ADRB2MAPT
SCHEMBL6538626 0.81 ADRB3 (1.00) ADRB3ADRB1ADRB2MAPT

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-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 WO disclosed