SCHEMBL7687852

SCHEMBL7687852

COc1ccc2nccc(Oc3ccc(C[C@@H](CO)NC[C@H](O)COc4ccccc4)cc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.59
ADRB1 P08588 10/20 0.59
CASR P41180 3/20 0.44
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
DDR2 Q16832 1/20 0.42
KMT2A Q03164 1/20 0.42
MET P08581 1/20 0.41
ROCK2 O75116 1/20 0.41
FGFR2 P21802 1/20 0.41

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
SCHEMBL6532071 0.93 ADRB3 (0.59) ADRB3ADRB1CASRKMT2AMET
SCHEMBL6532063 0.93 ADRB3 (0.59) ADRB3ADRB1CASRKMT2AMET
SCHEMBL6531335 0.90 ADRB3 (0.52) ADRB3ADRB1CASRADRB2KMT2A
SCHEMBL6531342 0.90 ADRB3 (0.52) ADRB3ADRB1CASRADRB2KMT2A
SCHEMBL6479253 0.89 ADRB3 (0.56) ADRB3ADRB1CASRADRB2KMT2A
SCHEMBL6479255 0.89 ADRB3 (0.56) ADRB3ADRB1CASRADRB2KMT2A
SCHEMBL7691890 0.86 ADRB3 (0.51) ADRB3ADRB1ADRB2MET
SCHEMBL6493585 0.86 ADRB3 (0.59) ADRB3ADRB1ADRB2KMT2A
SCHEMBL7693175 0.86 DDR2 (0.46) DDR2METFGFR2
SCHEMBL6489528 0.85 ADRB1 (0.49) ADRB3ADRB1CASRADRB2KMT2A

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-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed