SCHEMBL28649232

SCHEMBL28649232

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
BACE1 P56817 10/20 0.41
CTSD P07339 2/20 0.41
FOLH1 Q04609 6/20 0.41
BMP1 P13497 1/20 0.40
BACE2 Q9Y5Z0 2/20 0.40
MMP3 P08254 1/20 0.37

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
SCHEMBL16468881 0.89 DPP4 (0.47) DPP4DPP8DPP9BACE1CTSD
SCHEMBL3240642 0.87 DPP4 (0.50) DPP4DPP8DPP9FOLH1BMP1
SCHEMBL1534386 0.87 DPP4 (0.50) DPP4DPP8DPP9FOLH1BMP1
SCHEMBL3065570 0.87 DPP4 (0.45) DPP4DPP8DPP9BACE1CTSD
SCHEMBL16468394 0.85 BACE1 (0.45) DPP4DPP8DPP9BACE1CTSD
SCHEMBL31752426 0.85 FOLH1 (0.51) DPP4DPP8DPP9BACE1CTSD
SCHEMBL31083908 0.85 FOLH1 (0.51) DPP4DPP8DPP9BACE1CTSD
SCHEMBL2184278 0.82 BACE1 (0.42) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29796607 0.82 FOLH1 (0.60) DPP4DPP8DPP9BACE1CTSD
SCHEMBL31195712 0.82 FOLH1 (0.60) DPP4DPP8DPP9BACE1CTSD

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
CN-113444150-B Solid-phase preparation method of procatide 礼济生物医药科技(南京)有限公司 2023-02-28 CN disclosed
CN-113444150-A Solid-phase preparation method of procatide 礼济生物医药科技(南京)有限公司 2021-09-28 CN disclosed