SCHEMBL8908848

SCHEMBL8908848

NC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)N(C(=O)c1cc2ccccc2[nH]1)[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.37
P2RX1 P51575 1/20 0.36
REN P00797 3/20 0.35
AKR1C3 P42330 1/20 0.35
SIRT2 Q8IXJ6 6/20 0.35
CCKBR P32239 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL8910552 0.93 REN (0.36) F2RP2RX1RENSIRT2
SCHEMBL8909424 0.93 SIRT2 (0.34) P2RX1RENAKR1C3SIRT2
SCHEMBL8910197 0.93 REN (0.36) F2RP2RX1RENSIRT2
SCHEMBL8910523 0.91 KDM4E (0.38) AKR1C3SIRT2
SCHEMBL8909363 0.83 P2RX1 (0.52) F2RP2RX1RENAKR1C3MDM2
SCHEMBL8910700 0.83 REN (0.40) F2RP2RX1RENAKR1C3CCKBR
SCHEMBL8909618 0.77 SIRT2 (0.37) RENSIRT2
SCHEMBL9800700 0.75 REN (0.51) F2RP2RX1RENSIRT2
SCHEMBL8909154 0.74 REN (0.41) F2RP2RX1REN
SCHEMBL9800634 0.74 P2RX1 (0.49) F2RP2RX1REN

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