SCHEMBL30001080

SCHEMBL30001080

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.55
▸ FNTA P49354 1/20 0.53
▸ FNTB P49356 1/20 0.53
▸ CTSD P07339 3/20 0.53
▸ BACE2 Q9Y5Z0 2/20 0.51
▸ MME P08473 1/20 0.49
▸ ECE1 P42892 1/20 0.49
▸ GNPAT O15228 1/20 0.47

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
SCHEMBL29351277 0.91 OPRD1 (0.54) BACE1CTSDBACE2
SCHEMBL31019316 0.91 BACE1 (0.62) BACE1FNTAFNTBCTSDBACE2
SCHEMBL31672244 0.91 NAALAD2 (0.55) MMEECE1GNPAT
SCHEMBL5970501 0.91 NAALAD2 (0.55) MMEECE1GNPAT
SCHEMBL2487636 0.91 NAALAD2 (0.55) MMEECE1GNPAT
SCHEMBL29743321 0.91 NAALAD2 (0.55) MMEECE1GNPAT
SCHEMBL30039627 0.90 BACE1 (0.57) BACE1CTSDMME
SCHEMBL30607497 0.90 BACE1 (0.66) BACE1CTSDBACE2
SCHEMBL29530803 0.88 BACE1 (0.56) BACE1FNTAFNTBCTSDBACE2
SCHEMBL29350741 0.88 FNTA (0.56) BACE1FNTAFNTBCTSDBACE2

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
CN-118047852-A Method for preparing telmisappride 深圳翰宇药业股份有限公司 2024-05-17 — — CN claimed
CN-116731154-A Method for preparing teicoplanin by full liquid phase method 苏州金顶生物有限公司 2023-09-12 — — CN claimed
CN-118047852-A Method for preparing telmisappride 深圳翰宇药业股份有限公司 2024-05-17 — — CN disclosed
CN-116731154-A Method for preparing teicoplanin by full liquid phase method 苏州金顶生物有限公司 2023-09-12 — — CN disclosed
CN-116171164-A GLP-1/GIP dual agonists 太阳医药工业有限公司 2023-05-26 — — CN disclosed
CN-115181174-A Preparation method of Tirzepatide 深圳市健元医药科技有限公司 2022-10-14 — — CN disclosed
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