SCHEMBL7401649

SCHEMBL7401649

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCC(C)C)C(=O)NC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.48
REN P00797 9/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
PRCP P42785 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL7400099 0.84 REN (0.49) RENLMNA
SCHEMBL7408564 0.82 CTRB1 (0.44) CTRB1RENTSHRL3MBTL1KDM4E
SCHEMBL7404038 0.82 REN (0.53) REN
SCHEMBL7405000 0.81 REN (0.45) REN
SCHEMBL8605875 0.80 PSEN1 (0.56) REN
SCHEMBL7394330 0.79 CTSD (0.49) REN
SCHEMBL7402232 0.79 CTSD (0.46) REN
SCHEMBL8664644 0.79 CTSD (0.48) REN
SCHEMBL7396675 0.78 CTSD (0.47) REN
SCHEMBL7403620 0.78 CTSD (0.47) REN

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
US-5750648-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1998-05-12 US claimed
WO-1995006061-A1 RETROVIRAL PROTEASE INHIBITORS AND COMBINATIONS THEREOF G.D. SEARLE & CO. (US) 1995-03-02 WO claimed