SCHEMBL30686822

SCHEMBL30686822

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.55
▸ TFPI P10646 1/20 0.53
▸ CTSD P07339 2/20 0.53
▸ BACE2 Q9Y5Z0 5/20 0.52
▸ HRH1 P35367 1/20 0.51

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
SCHEMBL30686814 0.93 BACE1 (0.53) BACE1TFPICTSDBACE2HRH1
SCHEMBL30512585 0.89 BACE1 (0.60) BACE1TFPICTSDBACE2
SCHEMBL31738162 0.88 BACE1 (0.62) BACE1TFPI
SCHEMBL29837354 0.87 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL30292594 0.87 CTSB (0.53) BACE1TFPICTSDBACE2HRH1
SCHEMBL29904367 0.87 OPRK1 (0.56) —
SCHEMBL30369652 0.86 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL28182080 0.86 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL28182078 0.86 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL29794844 0.86 BACE1 (0.57) BACE1CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186201-A Branched chain modified EGF (A) analogue and application thereof 乐普(北京)医疗器械股份有限公司 2023-12-08 — — CN disclosed
Send feedback