SCHEMBL6661377

SCHEMBL6661377

NCCC[C@H](C(c1ccccc1)c1ccccc1)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.52
HTR2A P28223 1/20 0.52
SRC P12931 1/20 0.44
ACP3 P15309 3/20 0.42
POLB P06746 1/20 0.41
ANPEP P15144 4/20 0.40
ERAP1 Q9NZ08 2/20 0.40
ERAP2 Q6P179 1/20 0.40
LAP3 P28838 2/20 0.39

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
SCHEMBL6661372 1.00 HRH1 (0.52) HRH1HTR2ASRCACP3POLB
SCHEMBL8733506 0.94 HRH1 (0.44) HRH1HTR2ASRCACP3POLB
SCHEMBL8733520 0.94 HRH1 (0.44) HRH1HTR2ASRCACP3POLB
SCHEMBL6662879 0.90 HRH1 (0.48) HRH1HTR2ASRCACP3ANPEP
SCHEMBL6665209 0.82 SRC (0.50) HTR2ASRCACP3ANPEPLAP3
SCHEMBL6661785 0.81 HRH1 (0.49) HRH1HTR2AACP3POLBLAP3
SCHEMBL6665280 0.78 ANPEP (0.43) HTR2ASRCACP3ANPEPLAP3
SCHEMBL6661388 0.76 HRH1 (0.43) HRH1HTR2APOLBLAP3
SCHEMBL29006641 0.71 HRH1 (0.63) HRH1HTR2A
Phosphoric Acid SCHEMBL27396880 0.71 HRH1 (0.75) HRH1HTR2ASRCACP3POLB

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 2 patents. 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
EP-0877028-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1-AMINOPHOSPHONIC ACID DERIVATIVES AND NOVEL PHOSPHONATE COMPOUNDS HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1998-11-11 EP disclosed