SCHEMBL6665751

SCHEMBL6665751

COP(=O)(OC)[C@H](CN)C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.42
HTR2A P28223 1/20 0.42
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LAP3 P28838 1/20 0.39
ACP3 P15309 1/20 0.38
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6664240 0.86 HRH1 (0.46) TAAR1HTR2AGAAPOLBALDH1A1
SCHEMBL6662402 0.85 TAAR1 (0.41) TAAR1HTR2AGAAPOLBALDH1A1
SCHEMBL6661785 0.83 HRH1 (0.49) TAAR1HTR2AGAAPOLBALDH1A1
SCHEMBL6661388 0.82 HRH1 (0.43) HTR2AGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL6663343 0.80 TAAR1 (0.42) TAAR1HTR2AGAAPOLBALDH1A1
SCHEMBL7540487 0.80 TAAR1 (0.44) TAAR1HTR2AGAAPOLBALDH1A1
SCHEMBL6665209 0.78 SRC (0.50) TAAR1HTR2ALAP3ACP3GABBR2
SCHEMBL6663785 0.74 DPP4 (0.43) GAAPOLBALDH1A1SMN1; SMN2TDP1
SCHEMBL23542548 0.73 ALDH1A1 (0.45) GAAPOLBALDH1A1SMN1; SMN2TDP1
SCHEMBL5750561 0.72 ACP3 (0.53) GAAPOLBALDH1A1SMN1; SMN2TDP1

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