SCHEMBL11569073

SCHEMBL11569073

C[C@@H]1CC(=S)[C@@H](C(=O)NC(=O)C2CCCC(=O)N2)N1C(=O)[C@@H](N)Cc1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 6/20 0.39

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
SCHEMBL11568924 0.80 TRHR (0.43) TRHR
SCHEMBL11568587 0.78 TRHR (0.46) TRHR
SCHEMBL8611136 0.78 TRHR (0.34) TRHR
SCHEMBL14028666 0.71 TRHR (0.61) TRHR
SCHEMBL8781640 0.71 TRHR (0.36) TRHR
SCHEMBL8256591 0.68 TRHR (0.59) TRHR
SCHEMBL11816866 0.68 TRHR (0.37) TRHR
SCHEMBL10933309 0.68 TRHR (0.43) TRHR
SCHEMBL10933324 0.68 TRHR (0.43) TRHR
SCHEMBL10589322 0.67 TRHR (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001845-A2 Analeptic tripeptides, process for their preparation and pharmaceutical composition containing the same MERCK & CO. INC. (US) 1979-05-16 — — EP disclosed
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