SCHEMBL11568924

SCHEMBL11568924

C[C@H]1CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H]1C(=O)NC(=O)C1CCCC(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 6/20 0.43
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ NAA50 Q9GZZ1 3/20 0.32

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
SCHEMBL11035041 0.85 — —
SCHEMBL7333027 0.84 DPP4 (0.32) —
SCHEMBL11569073 0.80 TRHR (0.39) TRHR
SCHEMBL1370285 0.78 TRHR (0.52) TRHR
SCHEMBL14028666 0.75 TRHR (0.61) TRHRHDAC3HDAC1HDAC10HDAC11
SCHEMBL8256591 0.73 TRHR (0.59) TRHR
SCHEMBL8611136 0.73 TRHR (0.34) TRHR
SCHEMBL8781640 0.73 TRHR (0.36) TRHRHDAC3HDAC1HDAC10HDAC11
SCHEMBL10589322 0.72 TRHR (0.76) TRHR
SCHEMBL7265751 0.72 TRHR (0.32) 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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