SCHEMBL7273616

SCHEMBL7273616

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.46
▸ TRHR P34981 5/20 0.43
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 2/20 0.40

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
SCHEMBL7272408 0.90 TRHR (0.46) TRHR
SCHEMBL7273766 0.88 TRHR (0.47) TRHR
SCHEMBL7429679 0.88 TRHR (0.45) TRHR
SCHEMBL7276757 0.87 TRHR (0.44) ACETRHR
SCHEMBL7281332 0.87 TRHR (0.41) TRHR
SCHEMBL7273117 0.86 TRHR (0.47) TRHR
SCHEMBL7282889 0.85 TRHR (0.46) TRHR
SCHEMBL7271564 0.84 TRHR (0.47) TRHR
SCHEMBL7273569 0.82 ACE (0.45) ACETRHRITGB3ITGA2B
SCHEMBL7281074 0.81 ACE (0.44) ACETRHR

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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