SCHEMBL15840468

SCHEMBL15840468

CCC(C)/C1=N\C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)CCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.46
GRB2 P62993 15/20 0.40
CTSD P07339 1/20 0.38
MLNR O43193 1/20 0.38
PSMB11 A5LHX3 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMA1 P25786 1/20 0.37
PSMA2 P25787 1/20 0.37
PSMA3 P25788 1/20 0.37
PSMA4 P25789 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMA5 P28066 1/20 0.37
PSMB4 P28070 1/20 0.37
PSMB6 P28072 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB10 P40306 1/20 0.37
PSMB3 P49720 1/20 0.37
PSMB2 P49721 1/20 0.37

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
SCHEMBL15840407 0.91 OXTR (0.56) OXTRGRB2MLNRPSMB11PSMA7
SCHEMBL15840391 0.77 OXTR (0.76) OXTRMLNRPSMB11PSMA7PSMB1
SCHEMBL15840412 0.77 OXTR (0.76) OXTRMLNRPSMB11PSMA7PSMB1
SCHEMBL13573536 0.69 ITGB3 (0.51) OXTRPSMB11PSMA7PSMB1PSMA1
SCHEMBL30389411 0.67 FLT1 (0.49) GRB2OPRM1OPRD1OPRK1
SCHEMBL15839929 0.66 OXTR (0.69) OXTRPSMB11PSMA7PSMB1PSMA1
SCHEMBL20459052 0.65 OXTR (0.68) OXTRPSMB11PSMA7PSMB1PSMA1
SCHEMBL3205012 0.64 HRH3 (0.53) OPRM1OPRD1OPRK1
SCHEMBL5564861 0.64 HRH3 (0.53) OPRM1OPRD1OPRK1
SCHEMBL12809436 0.64 HRH3 (0.53) OPRM1OPRD1OPRK1

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