SCHEMBL7531078

SCHEMBL7531078

N#Cc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.80
ADRB1 P08588 13/20 0.80
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ADRB2 P07550 1/20 0.46
PPIA P62937 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 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
Trifluoroacetic Acid SCHEMBL6538547 0.96 ADRB3 (0.74) ADRB3ADRB1MEN1KMT2AMAPT
SCHEMBL6538626 0.90 ADRB3 (1.00) ADRB3ADRB1MAPTALDH1A1ADRB2
Hydrochloric Acid SCHEMBL6538594 0.89 ADRB3 (0.98) ADRB3ADRB1MAPTADRB2
SCHEMBL6539731 0.87 ADRB3 (1.00) ADRB3ADRB1MEN1KMT2AMAPT
SCHEMBL6538752 0.87 ADRB3 (0.83) ADRB3ADRB1MEN1KMT2AMAPT
SCHEMBL6539825 0.86 ADRB3 (0.98) ADRB3ADRB1MEN1KMT2AADRB2
SCHEMBL6539152 0.85 ADRB3 (0.85) ADRB3ADRB1MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL6538900 0.84 ADRB3 (0.78) ADRB3ADRB1MEN1KMT2AADRB2
SCHEMBL6538774 0.84 ADRB3 (0.88) ADRB3ADRB1ADRB2
Trifluoroacetic Acid SCHEMBL6538659 0.83 ADRB3 (0.77) ADRB3ADRB1MAPTADRB2

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