SCHEMBL8324281

SCHEMBL8324281

COC(=O)C[C@H](C)CCNC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SLC1A3 P43003 1/20 0.54
SLC1A1 P43005 1/20 0.54
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KCNA5 P22460 1/20 0.49
MAPT P10636 1/20 0.49
TGM2 P21980 1/20 0.48
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
FOLH1 Q04609 2/20 0.47
ABCB1 P08183 1/20 0.46
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46

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
SCHEMBL8327496 0.89 HTT (0.59) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL18085393 0.85 LMNA (0.60) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL29375182 0.85 LMNA (0.60) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL19295564 0.85 LMNA (0.53) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL19754817 0.84 SLC1A3 (0.60) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL22043447 0.84 SLC1A3 (0.60) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL18085394 0.84 SLC1A3 (0.60) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL2723506 0.84 LMNA (0.58) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL7378562 0.83 LMNA (0.65) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL2724463 0.83 SLC1A3 (0.58) LMNASMN1; SMN2SLC1A3SLC1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789571-A4 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO INC (US) 1999-04-14 EP disclosed
EP-0789571-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE Merck & Co., Inc. (US) 1997-08-20 EP disclosed
US-5629322-A TREATMENT OF NEURODEGENERATIVE DISORDERS, DISORDERS OF GASTROINTESTINAL MOTILITY AND INFLAMMATION MERCK & CO., INC. (US) 1997-05-13 US disclosed
WO-1996014844-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 WO disclosed