SCHEMBL8910700

SCHEMBL8910700

NC(=O)C(Cc1c[nH]cn1)N(C(=O)c1cc2ccccc2[nH]1)[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.40
F2R P25116 1/20 0.39
P2RX1 P51575 1/20 0.39
AKR1C3 P42330 2/20 0.37
MDM2 Q00987 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
OPRK1 P41145 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCKBR P32239 1/20 0.33
MAOB P27338 1/20 0.33
FAAH O00519 1/20 0.33
PYGL P06737 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 0.91 REN (0.41) RENF2RP2RX1PYGL
SCHEMBL8909458 0.90 PYGL (0.36) RENP2RX1AKR1C3KDM4EPYGL
SCHEMBL8910563 0.90 REN (0.41) RENP2RX1KDM4EHSD17B10PYGL
SCHEMBL8910252 0.88 KDM4E (0.39) RENAKR1C3KDM4EHSD17B10PYGL
SCHEMBL8909363 0.88 P2RX1 (0.52) RENF2RP2RX1AKR1C3MDM2
SCHEMBL8908848 0.83 F2R (0.37) RENF2RP2RX1AKR1C3MDM2
SCHEMBL8910706 0.83 F2R (0.38) RENF2RP2RX1AKR1C3MDM2
SCHEMBL9800552 0.79 P2RX1 (0.59) RENF2RP2RX1CCKBR
SCHEMBL8910552 0.76 REN (0.36) RENF2RP2RX1
SCHEMBL8909367 0.76 P2RX1 (0.42) RENF2RP2RX1AKR1C3MDM2

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