SCHEMBL8790732

SCHEMBL8790732

C[C@@H](O)CNC(C)(C)CC(=O)NN(Cc1ccc(-c2ccccc2CO)cc1)C(=O)CCOCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.39
AKT1 P31749 3/20 0.34
MLNR O43193 1/20 0.34
ADRB2 P07550 3/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
GSK3B P49841 1/20 0.33
CASR P41180 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL8792580 0.85 AGTR1 (0.32) LTB4R2AKT1
SCHEMBL8789378 0.76 CTSS (0.42) ADRB2CASRMEN1KMT2A
SCHEMBL8792444 0.73 AGTR1 (0.36) LTB4R2ADRB2ADRB1ADRB3
SCHEMBL8791543 0.72 ADRB2 (0.35) LTB4R2ADRB2ADRB1ADRB3FFAR1
SCHEMBL9421648 0.72 PSMB5 (0.44) ADRB2ALDH1A1SMN1; SMN2
SCHEMBL8791072 0.72 PSMB5 (0.44) ADRB2ALDH1A1SMN1; SMN2
SCHEMBL8789114 0.71 AGTR1 (0.34) LTB4R2AKT1
SCHEMBL8789185 0.70
SCHEMBL8791116 0.69 CTSS (0.39) CASRMEN1KMT2A
SCHEMBL8791113 0.69 CTSS (0.39) CASRMEN1KMT2A

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
EP-0669830-A4 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1997-02-26 EP claimed
EP-0669830-A1 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-09-06 EP claimed