SCHEMBL7437602

SCHEMBL7437602

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

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.75
P2RX1 P51575 1/20 0.48
F2R P25116 1/20 0.45

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
SCHEMBL9800552 0.88 P2RX1 (0.59) RENP2RX1F2R
SCHEMBL9225836 0.85 REN (0.55) RENP2RX1F2R
SCHEMBL7326504 0.82 REN (0.53) REN
SCHEMBL9554711 0.81 REN (0.64) RENP2RX1
SCHEMBL9554717 0.81 REN (0.64) RENP2RX1
SCHEMBL9800690 0.79 REN (0.59) RENP2RX1F2R
SCHEMBL7335538 0.79 REN (0.52) REN
SCHEMBL9800603 0.79 REN (0.59) RENP2RX1
SCHEMBL7329529 0.79 REN (0.50) REN
SCHEMBL9800652 0.77 P2RX1 (0.77) RENP2RX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634175-B1 Pharmaceutical combination, containing a renin-angiotensin-system inhibitor and an endothelin antagonist HOFFMANN LA ROCHE (CH) 2001-01-10 EP disclosed
US-5696116-A TREATING DISORDERS ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. (US) 1997-12-09 US disclosed