SCHEMBL8910563

SCHEMBL8910563

NC(=O)C(Cc1c[nH]cn1)N(C(=O)c1cc2cc(F)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 4/20 0.41
MLLT1 Q03111 1/20 0.36
PYGL P06737 1/20 0.34
FLT3 P36888 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
P2RX1 P51575 1/20 0.34
ATM Q13315 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP51A1 Q16850 1/20 0.33
AR P10275 3/20 0.32
KDM4E B2RXH2 1/20 0.32
PDPK1 O15530 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8909154 0.92 REN (0.41) RENPYGLFLT3P2RX1
SCHEMBL8909458 0.91 PYGL (0.36) RENPYGLP2RX1ARKDM4E
SCHEMBL8910700 0.90 REN (0.40) RENPYGLP2RX1KDM4EHSD17B10
SCHEMBL8910252 0.89 KDM4E (0.39) RENPYGLFLT3MEN1KMT2A
SCHEMBL8910197 0.82 REN (0.36) RENMLLT1PYGLSMYD3P2RX1
SCHEMBL9800603 0.79 REN (0.59) RENMLLT1PYGLSMYD3P2RX1
SCHEMBL8909363 0.78 P2RX1 (0.52) RENP2RX1
SCHEMBL8910552 0.75 REN (0.36) RENP2RX1
SCHEMBL8909424 0.74 SIRT2 (0.34) RENPYGLP2RX1
SCHEMBL8908848 0.74 F2R (0.37) RENP2RX1

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