SCHEMBL15840456

SCHEMBL15840456

CNCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.54
CTSS P25774 4/20 0.54
CTSB P07858 2/20 0.54
OPRD1 P41143 5/20 0.52
OPRM1 P35372 5/20 0.52
OPRK1 P41145 1/20 0.52
CTSK P43235 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47

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
SCHEMBL15839930 0.88 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL20458995 0.88 OPRD1 (0.43) CTSLCTSSCTSBOPRD1OPRM1
SCHEMBL24760230 0.88 CTSS (0.55) CTSLCTSSCTSBOPRD1OPRM1
SCHEMBL25976737 0.88 CTSS (0.55) CTSLCTSSCTSBOPRD1OPRM1
SCHEMBL18515624 0.87 OPRD1 (0.53) CTSLCTSSCTSBOPRD1OPRM1
SCHEMBL18506559 0.86 CTSS (0.56) CTSLCTSSCTSBOPRD1OPRM1
SCHEMBL21128010 0.86 CTSS (0.56) CTSLCTSSCTSBOPRD1OPRM1
SCHEMBL26605054 0.86 CTSS (0.53) CTSLCTSSCTSBOPRD1OPRM1
SCHEMBL5177591 0.86 CTSS (0.53) CTSLCTSSCTSBOPRD1OPRM1
SCHEMBL21320636 0.86 CHRNB2 (0.51) CTSLCTSSCTSBOPRD1OPRM1

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