SCHEMBL8909363

SCHEMBL8909363

NC(=O)C(Cc1cscn1)N(C(=O)c1cc2ccccc2[nH]1)[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.52
F2R P25116 1/20 0.39
REN P00797 10/20 0.39
AKR1C3 P42330 1/20 0.37
MDM2 Q00987 1/20 0.36

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
SCHEMBL8910700 0.88 REN (0.40) P2RX1F2RRENAKR1C3MDM2
SCHEMBL8909367 0.84 P2RX1 (0.42) P2RX1F2RRENAKR1C3MDM2
SCHEMBL8908848 0.83 F2R (0.37) P2RX1F2RRENAKR1C3MDM2
SCHEMBL8909154 0.79 REN (0.41) P2RX1F2RREN
SCHEMBL8909458 0.78 PYGL (0.36) P2RX1RENAKR1C3
SCHEMBL8910563 0.78 REN (0.41) P2RX1REN
SCHEMBL8910252 0.77 KDM4E (0.39) RENAKR1C3
SCHEMBL8910552 0.76 REN (0.36) P2RX1F2RREN
SCHEMBL8910197 0.76 REN (0.36) P2RX1F2RREN
SCHEMBL8909424 0.76 SIRT2 (0.34) P2RX1RENAKR1C3

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