SCHEMBL6662879

SCHEMBL6662879

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.48
SRC P12931 1/20 0.47
ACP3 P15309 4/20 0.45
ANPEP P15144 4/20 0.42
ERAP1 Q9NZ08 2/20 0.42
ERAP2 Q6P179 1/20 0.42
HTR2A P28223 1/20 0.41
LAP3 P28838 3/20 0.41
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
CYP2D6 P10635 1/20 0.40

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 0.90 HRH1 (0.52) HRH1SRCACP3ANPEPERAP1
SCHEMBL6661377 0.90 HRH1 (0.52) HRH1SRCACP3ANPEPERAP1
SCHEMBL8733520 0.87 HRH1 (0.44) HRH1SRCACP3ANPEPERAP1
SCHEMBL8733506 0.87 HRH1 (0.44) HRH1SRCACP3ANPEPERAP1
SCHEMBL6665209 0.85 SRC (0.50) SRCACP3ANPEPHTR2ALAP3
SCHEMBL6664240 0.79 HRH1 (0.46) HRH1ACP3HTR2ALAP3
Phosphoric Acid SCHEMBL27396880 0.77 HRH1 (0.75) HRH1SRCACP3ANPEPERAP1
SCHEMBL6665280 0.77 ANPEP (0.43) SRCACP3ANPEPHTR2ALAP3
SCHEMBL5223505 0.70 HRH1 (0.47) HRH1SRCACP3HTR2ACYP2D6
SCHEMBL6661785 0.70 HRH1 (0.49) HRH1ACP3HTR2ALAP3

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