SCHEMBL8909458

SCHEMBL8909458

Cc1ccc2[nH]c(C(=O)N(C(Cc3c[nH]cn3)C(N)=O)[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)C3CC3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.36
REN P00797 5/20 0.35
AKR1C3 P42330 4/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
P2RX1 P51575 1/20 0.34
AR P10275 2/20 0.33
PIN1 Q13526 1/20 0.32
KDM4E B2RXH2 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) PYGLRENP2RX1
SCHEMBL8910563 0.91 REN (0.41) PYGLRENP2RX1ARKDM4E
SCHEMBL8910252 0.91 KDM4E (0.39) PYGLRENAKR1C3RAB9ANPC1
SCHEMBL8910700 0.90 REN (0.40) PYGLRENAKR1C3P2RX1KDM4E
SCHEMBL8909424 0.82 SIRT2 (0.34) PYGLRENAKR1C3P2RX1
SCHEMBL8909363 0.78 P2RX1 (0.52) RENAKR1C3P2RX1
SCHEMBL8910552 0.75 REN (0.36) RENP2RX1
SCHEMBL8910197 0.74 REN (0.36) PYGLRENP2RX1
SCHEMBL8910523 0.74 KDM4E (0.38) PYGLAKR1C3KDM4E
SCHEMBL8908848 0.74 F2R (0.37) RENAKR1C3P2RX1

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