SCHEMBL6663343

SCHEMBL6663343

COP(=O)(OC)C(C(C)CN)C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
HTR2A P28223 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LAP3 P28838 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6663146 0.81 ANPEP (0.45) TAAR1HTR2ALAP3
SCHEMBL6665751 0.80 TAAR1 (0.42) TAAR1ALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL6663785 0.79 DPP4 (0.43) ALDH1A1SMN1; SMN2GAAKMT2APOLB
SCHEMBL6662402 0.77 TAAR1 (0.41) TAAR1ALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL7540487 0.75 TAAR1 (0.44) TAAR1ALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL6664240 0.74 HRH1 (0.46) TAAR1ALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL6661785 0.72 HRH1 (0.49) TAAR1ALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL6661388 0.71 HRH1 (0.43) ALDH1A1SMN1; SMN2GAAPOLBHTR2A
SCHEMBL28554164 0.70 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL23542548 0.69 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2GAAKMT2APOLB

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-0877028-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1-AMINOPHOSPHONIC ACID DERIVATIVES AND NOVEL PHOSPHONATE COMPOUNDS HOKKO CHEM IND CO (JP) 2004-08-25 EP disclosed