SCHEMBL8909154

SCHEMBL8909154

NC(=O)C(Cc1c[nH]cn1)N(C(=O)c1cc2cc(O)ccc2[nH]1)[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.41
PYGL P06737 1/20 0.34
P2RX1 P51575 1/20 0.34
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MC4R P32245 1/20 0.32
MC5R P33032 1/20 0.32
MC3R P41968 1/20 0.32
ABL1 P00519 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
BCR P11274 1/20 0.31
FLT3 P36888 1/20 0.31
F2R P25116 1/20 0.31
SMAD3 P84022 1/20 0.31

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
SCHEMBL8910563 0.92 REN (0.41) RENPYGLP2RX1FLT3
SCHEMBL8909458 0.92 PYGL (0.36) RENPYGLP2RX1
SCHEMBL8910700 0.91 REN (0.40) RENPYGLP2RX1F2R
SCHEMBL8910252 0.90 KDM4E (0.39) RENPYGLPDGFRBFLT3IDO1
SCHEMBL8910552 0.82 REN (0.36) RENP2RX1GRIN2DGRIN3BGRIN1
SCHEMBL9800690 0.79 REN (0.59) RENPYGLP2RX1F2R
SCHEMBL8909363 0.79 P2RX1 (0.52) RENP2RX1F2R
SCHEMBL8910197 0.75 REN (0.36) RENPYGLP2RX1F2R
SCHEMBL8909424 0.75 SIRT2 (0.34) RENPYGLP2RX1
SCHEMBL8908848 0.74 F2R (0.37) RENP2RX1F2R

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
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed