SCHEMBL7300559

SCHEMBL7300559

N[C@@H](CC1CCCCC1)[C@@H](O)CCCNC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
DPP8 Q6V1X1 3/20 0.49
DPP7 Q9UHL4 3/20 0.49
DPP4 P27487 2/20 0.49
DPP9 Q86TI2 2/20 0.49
HTT P42858 1/20 0.49
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A1 P43005 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
ANPEP P15144 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL10521370 0.87 METAP2 (0.52) MEN1KMT2AMETAP2METAP1ALDH1A1
SCHEMBL10521376 0.87 METAP2 (0.52) MEN1KMT2AMETAP2METAP1ALDH1A1
SCHEMBL9770911 0.87 METAP2 (0.52) MEN1KMT2AMETAP2METAP1ALDH1A1
Hydroxyamine SCHEMBL7357468 0.83 REN (0.53) MEN1KMT2AMETAP2METAP1CTSL
SCHEMBL9874408 0.83 REN (0.49) MEN1KMT2AMETAP2CTSLCTSS
SCHEMBL8392487 0.80 MEN1 (0.62) MEN1KMT2AHTTALDH1A1KEAP1
SCHEMBL8395472 0.80 MEN1 (0.62) MEN1KMT2AHTTALDH1A1KEAP1
SCHEMBL9876326 0.79 CA1 (0.50) CTSLCTSSCTSKHTRA1REN
SCHEMBL6476379 0.78 METAP2 (0.64) MEN1KMT2AMETAP2METAP1ALDH1A1
SCHEMBL8395610 0.78 HTT (0.62) MEN1KMT2ADPP8DPP7DPP4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5147857-A Enzyme inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-09-15 US disclosed
EP-0446751-A1 Glycolic acid derivatives MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed