SCHEMBL6661785

SCHEMBL6661785

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.49
HTR2A P28223 1/20 0.49
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LAP3 P28838 1/20 0.36
SLC7A5 Q01650 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
ACP3 P15309 1/20 0.34

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
SCHEMBL6661388 0.95 HRH1 (0.43) HRH1HTR2AGAAALDH1A1SMN1; SMN2
SCHEMBL6664240 0.90 HRH1 (0.46) HRH1HTR2AGAAALDH1A1SMN1; SMN2
SCHEMBL6665751 0.83 TAAR1 (0.42) HTR2AGAAALDH1A1SMN1; SMN2POLB
SCHEMBL6661372 0.81 HRH1 (0.52) HRH1HTR2APOLBLAP3ACP3
SCHEMBL6661377 0.81 HRH1 (0.52) HRH1HTR2APOLBLAP3ACP3
SCHEMBL6662402 0.80 TAAR1 (0.41) HTR2AGAAALDH1A1SMN1; SMN2POLB
SCHEMBL8733520 0.75 HRH1 (0.44) HRH1HTR2APOLBSLC7A5ACP3
SCHEMBL8733506 0.75 HRH1 (0.44) HRH1HTR2APOLBSLC7A5ACP3
SCHEMBL6663343 0.72 TAAR1 (0.42) HTR2AGAAALDH1A1SMN1; SMN2POLB
SCHEMBL7540487 0.71 TAAR1 (0.44) HTR2AGAAALDH1A1SMN1; SMN2POLB

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