SCHEMBL6662402

SCHEMBL6662402

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.41
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
HTR2A P28223 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LAP3 P28838 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ANPEP P15144 2/20 0.33
ACP3 P15309 1/20 0.33

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
SCHEMBL6665751 0.85 TAAR1 (0.42) TAAR1GAAALDH1A1SMN1; SMN2POLB
SCHEMBL6665280 0.83 ANPEP (0.43) TAAR1HTR2ALAP3ANPEPACP3
SCHEMBL6661785 0.80 HRH1 (0.49) TAAR1GAAALDH1A1SMN1; SMN2POLB
SCHEMBL6664240 0.80 HRH1 (0.46) TAAR1GAAALDH1A1SMN1; SMN2POLB
SCHEMBL6661388 0.79 HRH1 (0.43) GAAALDH1A1SMN1; SMN2POLBHTR2A
SCHEMBL6663343 0.77 TAAR1 (0.42) TAAR1GAAALDH1A1SMN1; SMN2POLB
SCHEMBL7540487 0.74 TAAR1 (0.44) TAAR1GAAALDH1A1SMN1; SMN2POLB
SCHEMBL28554164 0.69 ALDH1A1 (0.46) GAAALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL6665209 0.68 SRC (0.50) TAAR1HTR2ALAP3ANPEPACP3
SCHEMBL6663785 0.68 DPP4 (0.43) GAAALDH1A1SMN1; SMN2POLBTDP1

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