SCHEMBL14743758

SCHEMBL14743758

CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C]=O)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.41
NMT2 O60551 1/20 0.37
NMT1 P30419 1/20 0.37
FOLH1 Q04609 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.34
FURIN P09958 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33

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
SCHEMBL2192122 0.91 FOLH1 (0.38) BACE1NMT2NMT1FOLH1
SCHEMBL2470628 0.86 BACE1 (0.41) BACE1NMT2NMT1FOLH1BACE2
SCHEMBL676216 0.84 GRIN2D (0.43) BACE1NMT2NMT1
SCHEMBL28865257 0.84 BACE1 (0.52) BACE1BACE2
SCHEMBL28865256 0.84 BACE1 (0.52) BACE1BACE2
SCHEMBL1351713 0.82 DPP4 (0.39) BACE1BACE2
SCHEMBL1717071 0.81 BACE1 (0.47) BACE1NMT2NMT1BACE2
SCHEMBL28018179 0.81 BACE1 (0.47) BACE1NMT2NMT1BACE2
SCHEMBL1649812 0.81 FOLH1 (0.48) NMT2NMT1FOLH1
SCHEMBL3122465 0.81 GRIN2D (0.42) BACE1NMT2NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4297868-A1 USE OF APREPITANT FOR TREATING ALZHEIMER'S DISEASE Hoth Therapeutics, Inc. (US) 2024-01-03 EP claimed
WO-2022182658-A1 USE OF APREPITANT FOR TREATING ALZHEIMER'S DISEASE HOTH THERAPEUTICS, INC. (US) 2022-09-01 WO claimed
EP-2958915-A1 AZABENZIMIDAZOLE COMPOUNDS AS INHIBITORS OF PDE4 ISOZYMES FOR THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Inc. (US) 2015-12-30 EP disclosed
WO-2014128585-A1 AZABENZIMIDAZOLE COMPOUNDS AS INHIBITORS OF PDE4 ISOZYMES FOR THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER INC. (US) 2014-08-28 WO disclosed
EP-2751116-A1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS Pfizer Inc (US) 2014-07-09 EP disclosed
WO-2013030713-A1 HEXAHYDROPYRANO [3,4-D][1,3] THIAZIN-2-AMINE COMPOUNDS PFIZER INC. (US) 2013-03-07 WO disclosed