SCHEMBL30947797

SCHEMBL30947797

CC[C@H](N)C(=O)N[C@@H](CCN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 5/20 0.45
▸ DPP8 Q6V1X1 4/20 0.45
▸ DPP9 Q86TI2 4/20 0.45
▸ DPP4 P27487 2/20 0.45
▸ CTSC P53634 3/20 0.40
▸ NOD1 Q9Y239 3/20 0.40
▸ GABRR1 P24046 2/20 0.39
▸ RRM1 P23921 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CTSH P09668 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.38
▸ GNPAT O15228 1/20 0.38

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
SCHEMBL30724711 0.88 FOLH1 (0.54) DPP7DPP8DPP9DPP4NOD1
SCHEMBL232528 0.88 FOLH1 (0.54) DPP7DPP8DPP9DPP4NOD1
SCHEMBL29775575 0.87 DPP7 (0.46) DPP7DPP8DPP9DPP4NOD1
SCHEMBL29601415 0.87 DPP7 (0.46) DPP7DPP8DPP9DPP4NOD1
SCHEMBL31141346 0.85 DPP9 (0.42) DPP7DPP8DPP9DPP4NOD1
SCHEMBL29782938 0.85 DPP4 (0.46) DPP7DPP8DPP9DPP4CTSC
SCHEMBL29399742 0.84 FOLH1 (0.56) DPP8DPP9DPP4NOD1FOLH1
SCHEMBL29692729 0.84 DPP7 (0.59) DPP7DPP8DPP9DPP4NOD1
SCHEMBL26352136 0.84 FOLH1 (0.56) DPP8DPP9DPP4NOD1FOLH1
SCHEMBL31143777 0.84 DPP7 (0.44) DPP7DPP8DPP9DPP4NOD1

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-118878638-A Polymyxin compound, pharmaceutical composition and application thereof 云顶新耀医药科技有限公司 2024-11-01 — — CN disclosed
CN-112789287-B Compounds of formula (I) 云顶新耀医药科技有限公司 2024-06-21 — — CN disclosed
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