SCHEMBL7446375

SCHEMBL7446375

CCC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O)C(C)CC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.54
▸ ECE1 P42892 9/20 0.54
▸ MAGI3 Q5TCQ9 1/20 0.54
▸ EDNRA P25101 1/20 0.52
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ UTS2R Q9UKP6 1/20 0.49
▸ GHSR Q92847 1/20 0.49
▸ CTSC P53634 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ CASP4 P49662 1/20 0.48
▸ CASP5 P51878 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ CASP9 P55211 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ CASP8 Q14790 1/20 0.48
▸ CASP10 Q92851 1/20 0.48

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
SCHEMBL7394085 1.00 ACE (0.54) ACEECE1MAGI3EDNRAKMT2A
SCHEMBL7394083 1.00 ACE (0.54) ACEECE1MAGI3EDNRAKMT2A
SCHEMBL7397063 0.95 ACE (0.58) ACEECE1GHSRCTSC
SCHEMBL7397057 0.95 ACE (0.58) ACEECE1GHSRCTSC
SCHEMBL9069561 0.92 MAGI3 (0.62) ACEECE1MAGI3EDNRAKMT2A
SCHEMBL9068986 0.92 MAGI3 (0.62) ACEECE1MAGI3EDNRAKMT2A
SCHEMBL7397525 0.88 ECE1 (0.59) ACEECE1MAGI3EDNRAKMT2A
SCHEMBL7391591 0.88 ECE1 (0.59) ACEECE1MAGI3EDNRAKMT2A
SCHEMBL30838790 0.88 ACE (0.67) ACEECE1
SCHEMBL7397536 0.88 ECE1 (0.59) ACEECE1MAGI3EDNRAKMT2A

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-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 — — US claimed
WO-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 — — WO disclosed
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