SCHEMBL7281210

SCHEMBL7281210

C[C@@H](O)[C@H](NC(=O)[C@@H]1CC(=O)C[C@@H]1C)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.41
▸ CTSB P07858 1/20 0.41
▸ ELANE P08246 4/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ TRHR P34981 3/20 0.36
▸ XIAP P98170 1/20 0.35

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
SCHEMBL7281202 1.00 CAPN1 (0.41) CAPN1CTSBELANESLC6A2TRHR
SCHEMBL7274041 0.93 ELANE (0.44) ELANEXIAP
SCHEMBL7274032 0.93 ELANE (0.44) ELANEXIAP
SCHEMBL7443723 0.92 CAPN1 (0.40) CAPN1CTSBELANESLC6A2TRHR
SCHEMBL7443716 0.92 CAPN1 (0.40) CAPN1CTSBELANESLC6A2TRHR
SCHEMBL7276794 0.89 XIAP (0.46) ELANETRHRXIAP
SCHEMBL7276782 0.89 XIAP (0.46) ELANETRHRXIAP
SCHEMBL7273522 0.83 CAPN1 (0.44) CAPN1CTSBTRHR
SCHEMBL7282352 0.83 TRHR (0.43) CAPN1TRHR
SCHEMBL7282638 0.82 TRHR (0.43) TRHR

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-0473993-B1 Novel peptide derivatives and their pharmaceutical use JAPAN TOBACCO INC (JP) 1996-04-17 — — EP disclosed
EP-0473993-A2 Novel peptide derivatives and their pharmaceutical use Japan Tobacco Inc. (JP) 1992-03-11 — — EP disclosed
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