SCHEMBL8910706

SCHEMBL8910706

NC(=O)C(CN(C(=O)c1cc2ccccc2[nH]1)[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.38
REN P00797 2/20 0.37
AKR1C3 P42330 2/20 0.35
MDM2 Q00987 1/20 0.34
P2RX1 P51575 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
APAF1 O14727 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCKBR P32239 1/20 0.32
AR P10275 1/20 0.32
MAOB P27338 1/20 0.32
FAAH O00519 1/20 0.31
PYGL P06737 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
SCHEMBL8909367 0.88 P2RX1 (0.42) F2RRENAKR1C3MDM2P2RX1
SCHEMBL8910700 0.83 REN (0.40) F2RRENAKR1C3MDM2P2RX1
SCHEMBL8910208 0.75 ALDH1A1 (0.31) TSHR
SCHEMBL8909363 0.75 P2RX1 (0.52) F2RRENAKR1C3MDM2P2RX1
SCHEMBL8909154 0.74 REN (0.41) F2RRENP2RX1PYGL
SCHEMBL8910563 0.73 REN (0.41) RENP2RX1KDM4ETSHRHSD17B10
SCHEMBL8909458 0.73 PYGL (0.36) RENAKR1C3P2RX1KDM4EAR
SCHEMBL8908823 0.73 REN (0.34) F2RREN
SCHEMBL8910252 0.72 KDM4E (0.39) RENAKR1C3KDM4ETSHRNPSR1
SCHEMBL8908848 0.71 F2R (0.37) F2RRENAKR1C3MDM2P2RX1

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