SCHEMBL31421913

SCHEMBL31421913

O=C(CNCCCCCCN1C(=O)C=CC1=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ AKT1 P31749 1/20 0.47
▸ FAAH O00519 3/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ EPHX2 P34913 2/20 0.44
▸ ACE P12821 1/20 0.43
▸ ACHE P22303 4/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ MME P08473 1/20 0.42

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
SCHEMBL5550460 0.87 FAAH (0.56) GSK3AGSK3BFAAHEPHX2ACE
SCHEMBL5550466 0.87 FAAH (0.56) GSK3AGSK3BFAAHEPHX2ACE
SCHEMBL29528481 0.87 FAAH (0.56) GSK3AGSK3BFAAHEPHX2ACE
SCHEMBL29235949 0.87 FAAH (0.51) GSK3AGSK3BAKT1FAAHEPHX2
SCHEMBL29114311 0.87 FAAH (0.51) GSK3AGSK3BAKT1FAAHEPHX2
SCHEMBL17003656 0.86 FAAH (0.50) GSK3AGSK3BAKT1FAAHEPHX2
SCHEMBL20787950 0.86 FAAH (0.50) GSK3AGSK3BAKT1FAAHEPHX2
SCHEMBL27057602 0.78 HDAC3 (0.51) GSK3AGSK3BAKT1FAAH
SCHEMBL30943615 0.78 CTSB (0.46) AKT1ACEMME
SCHEMBL38659665 0.77 AKT1 (0.50) AKT1EPHX2

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-119630672-A Camptothecin derivative and conjugate thereof, and preparation method and medical application thereof 一线医药(杭州)有限公司 2025-03-14 — — CN disclosed
Send feedback