SCHEMBL15840404

SCHEMBL15840404

CNCC(=O)N[C@@H](CCSC)C(=O)NCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
PGGT1B P53609 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ANPEP P15144 1/20 0.37
F10 P00742 2/20 0.37
PRSS1 P07477 2/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL15840410 0.84 GLO1 (0.35)
SCHEMBL15840416 0.84 BMP1 (0.43) MEN1KMT2ASMN1; SMN2
SCHEMBL17323294 0.84 CTSS (0.37) CTSSCTSK
SCHEMBL22873096 0.83 CA12 (0.41) TSHRFNTAFNTBPGGT1BMEN1
SCHEMBL17323373 0.82 NMT2 (0.36)
SCHEMBL15840383 0.82 PTGS1 (0.39)
SCHEMBL15840384 0.81 SIRT6 (0.41) CTSSCTSK
SCHEMBL15840414 0.81 GLO1 (0.44)
SCHEMBL15840455 0.80 NMT1 (0.36)
SCHEMBL22297882 0.80 SIRT6 (0.46)

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
WO-2015185467-A1 PEPTIDES AS OXYTOCIN AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-10 WO disclosed
WO-2014095773-A1 PEPTIDES AS OXYTOCIN AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-26 WO disclosed