SCHEMBL21585092

SCHEMBL21585092

CC[C@@H](C)[C@@H]1NC(=O)CCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 4/20 0.55
▸ CTSD P07339 1/20 0.45
▸ GRB2 P62993 2/20 0.43
▸ GHSR Q92847 7/20 0.41
▸ CD2 P06729 1/20 0.40
▸ CD58 P19256 1/20 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
SCHEMBL21585120 0.86 OXTR (0.53) OXTRCTSDGRB2CD2CD58
SCHEMBL30190244 0.83 OXTR (0.48) OXTR
SCHEMBL15840412 0.78 OXTR (0.76) OXTRCD2CD58
SCHEMBL15840391 0.78 OXTR (0.76) OXTRCD2CD58
SCHEMBL12276304 0.76 CTSD (0.62) CTSDGHSR
SCHEMBL15840401 0.76 OXTR (0.53) OXTR
SCHEMBL18719718 0.72 CTSD (0.47) CTSDGRB2
SCHEMBL16558239 0.71 CTSD (0.43) OXTRCTSDGRB2
SCHEMBL18735829 0.71 CTSD (0.43) OXTRCTSDGRB2
SCHEMBL16558260 0.71 CTSD (0.43) OXTRCTSDGRB2

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
WO-2019227173-A1 STABLE PROTEIN LIGANDS AS ANTI-INFECTIVE AGENTS MONASH UNIVERSITY (AU) 2019-12-05 — — WO disclosed
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