SCHEMBL11166889

SCHEMBL11166889

CC(C)C[C@H](NC(=O)C1CSCN1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 4/20 0.44
▸ CAPN1 P07384 2/20 0.44
▸ CTSB P07858 1/20 0.43
▸ STAT3 P40763 2/20 0.43

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
SCHEMBL11331704 0.80 TRHR (0.66) TRHR
SCHEMBL27830909 0.80 TRHR (0.66) TRHR
SCHEMBL1371608 0.80 TRHR (0.66) TRHR
SCHEMBL11179550 0.80 TRHR (0.66) TRHR
SCHEMBL11182741 0.80 TRHR (0.66) TRHR
SCHEMBL11170527 0.79 TRHR (0.49) TRHR
Posatirelin SCHEMBL3083636 0.79 TRHR (0.68) TRHR
Posatirelin SCHEMBL195247 0.79 TRHR (0.68) TRHR
SCHEMBL31280235 0.77 KMT2A (0.49) CAPN1CTSB
SCHEMBL30179685 0.77 MEN1 (0.49) —

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
US-4386073-A ANTIDOTES TO EFFECTS OF CERTAIN DRUGS PATENTBUREAU DANUBIA (HU) 1983-05-31 — — US disclosed
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