SCHEMBL1132876

SCHEMBL1132876

COc1ccccc1[C@H](C)NC[C@@H](N)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ACHE P22303 2/20 0.48
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AGTR1 P30556 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL1132879 1.00 CA1 (0.48) CA1CA2ACHELMNAHPGD
SCHEMBL1133278 1.00 CA1 (0.48) CA1CA2ACHELMNAHPGD
SCHEMBL1132867 0.84 CA1 (0.53) CA1CA2ACHELMNAHPGD
SCHEMBL1132538 0.84 CA1 (0.53) CA1CA2ACHELMNAHPGD
SCHEMBL1132790 0.81 CYP2D6 (0.44) CA1CA2ACHELMNAHPGD
SCHEMBL1132788 0.81 CYP2D6 (0.44) CA1CA2ACHELMNAHPGD
SCHEMBL12610455 0.79 CA1 (0.42) CA1CA2ACHELMNAHPGD
SCHEMBL12609275 0.79 CA1 (0.42) CA1CA2ACHELMNAHPGD
SCHEMBL12609061 0.77 CA1 (0.40) CA1CA2ACHELMNAHPGD
SCHEMBL8756990 0.77 LMNA (0.46) CA1CA2ACHELMNAHPGD

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
EP-2287173-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed