SCHEMBL7397063

SCHEMBL7397063

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

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.58
▸ ECE1 P42892 11/20 0.58
▸ CTSC P53634 1/20 0.52
▸ GHSR Q92847 1/20 0.52

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
SCHEMBL7397057 1.00 ACE (0.58) ACEECE1CTSCGHSR
SCHEMBL7446375 0.95 ACE (0.54) ACEECE1CTSCGHSR
SCHEMBL7394083 0.95 ACE (0.54) ACEECE1CTSCGHSR
SCHEMBL7394085 0.95 ACE (0.54) ACEECE1CTSCGHSR
SCHEMBL30838790 0.92 ACE (0.67) ACEECE1
SCHEMBL23312954 0.92 ECE1 (0.67) ACEECE1CTSC
SCHEMBL23312953 0.91 ECE1 (0.58) ACEECE1CTSCGHSR
SCHEMBL30725664 0.90 ACE (0.70) ACEECE1
SCHEMBL30725658 0.88 ACE (0.56) ACEECE1
SCHEMBL30051826 0.88 ACE (0.68) ACEECE1

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
WO-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 — — WO claimed
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