SCHEMBL27772272

SCHEMBL27772272

CC1SCC(C(=O)NC(Cc2c[nH]cn2)C(=O)NC(=O)[C@@H]2CCCN2)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 8/20 0.35
▸ GHSR Q92847 1/20 0.34
▸ CTSC P53634 4/20 0.33
▸ TRHR P34981 1/20 0.32
▸ ALB P02768 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL8503549 0.88 KLK7 (0.39) KLK7TRHRALB
SCHEMBL27448785 0.84 TRHR (0.37) GHSRCTSCTRHRDPP7
SCHEMBL27504186 0.83 TRHR (0.41) TRHR
SCHEMBL1370995 0.80 TRHR (0.41) CTSCTRHR
SCHEMBL14028667 0.80 TRHR (0.43) TRHR
Montirelin SCHEMBL7354006 0.77 TRHR (0.55) TRHR
Montirelin SCHEMBL7311976 0.77 TRHR (0.55) TRHR
Montirelin SCHEMBL4955895 0.77 TRHR (0.55) TRHR
Montirelin SCHEMBL3098148 0.77 TRHR (0.55) TRHR
SCHEMBL8257280 0.77 TRHR (0.42) 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
CN-101657715-B Detection system and uses therefor DIMERIX BIOSCIENCE PTY LTD 2012-07-25 — — CN disclosed
CN-101657715-A Detection system and uses therefor DIMERIX BIOSCIENCE PTY LTD AU 2010-02-24 — — CN disclosed
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