SCHEMBL7273990

SCHEMBL7273990

CC(C)[C@H](NC(=O)C1CCC(=O)C1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 9/20 0.43
▸ TRHR P34981 2/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL7282397 0.92 CAPN1 (0.41) ELANETRHR
SCHEMBL7282406 0.92 CAPN1 (0.41) ELANETRHR
SCHEMBL7285431 0.89 XIAP (0.46) TRHRKMT2AXIAP
SCHEMBL7285438 0.89 XIAP (0.46) TRHRKMT2AXIAP
SCHEMBL7271564 0.84 TRHR (0.47) TRHRKMT2A
SCHEMBL7273117 0.82 TRHR (0.47) TRHR
SCHEMBL7273766 0.82 TRHR (0.47) TRHR
SCHEMBL7274041 0.81 ELANE (0.44) ELANEDPP4DPP8DPP9MEN1
SCHEMBL7274032 0.81 ELANE (0.44) ELANEDPP4DPP8DPP9MEN1
SCHEMBL7282889 0.81 TRHR (0.46) 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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