SCHEMBL9683318

SCHEMBL9683318

C[C@H](CCc1ccc(CN)cc1)NC[C@@H](COc1ccccc1)OC(=O)C(=O)O[C@@H](CN[C@H](C)CCc1ccc(CN)cc1)COc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ADRB3 P13945 5/20 0.48
ADRB2 P07550 4/20 0.48
ADRB1 P08588 2/20 0.48
BCHE P06276 1/20 0.45
DPP4 P27487 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
ACACB O00763 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Oxalic Acid SCHEMBL9683314 0.83 MEN1 (0.76) ALDH1A1KMT2AMEN1ADRB3ADRB2
Hydrochloric Acid SCHEMBL9684257 0.81 DPP4 (0.54) ALDH1A1KMT2AMEN1ADRB3ADRB2
Hydrochloric Acid SCHEMBL9684267 0.81 DPP4 (0.54) ALDH1A1KMT2AMEN1ADRB3ADRB2
SCHEMBL9799475 0.77 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1ADRB3ADRB2
SCHEMBL11075561 0.76 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1ADRB3ADRB2
SCHEMBL9683304 0.75 MEN1 (0.76) ALDH1A1KMT2AMEN1ADRB3ADRB2
SCHEMBL9684112 0.75 MEN1 (0.76) ALDH1A1KMT2AMEN1ADRB3ADRB2
SCHEMBL9684119 0.75 MEN1 (0.76) ALDH1A1KMT2AMEN1ADRB3ADRB2
SCHEMBL9683310 0.75 MEN1 (0.76) ALDH1A1KMT2AMEN1ADRB3ADRB2
SCHEMBL9684240 0.75 MEN1 (0.76) ALDH1A1KMT2AMEN1ADRB3ADRB2

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
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed