SCHEMBL31245956

SCHEMBL31245956

CN1CCN(CCCNC(=O)c2cc(C(=O)NCCCNC(=O)OC(C)(C)C)cc(C(=O)NCCCNC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.57
▸ DRD2 P14416 9/20 0.55
▸ LMNA P02545 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SLC29A1 Q99808 1/20 0.52
▸ ACHE P22303 1/20 0.51
▸ BACE1 P56817 1/20 0.51
▸ SIGMAR1 Q99720 2/20 0.50
▸ RAD52 P43351 1/20 0.50

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
SCHEMBL13609474 0.87 DRD2 (0.60) MAPTDRD2LMNAALDH1A1GAA
SCHEMBL22767691 0.84 TDP1 (0.56) GAASMN1; SMN2
SCHEMBL12501782 0.84 DRD2 (0.65) MAPTDRD2LMNAALDH1A1GAA
SCHEMBL8254760 0.83 DRD2 (0.64) MAPTDRD2LMNAALDH1A1GAA
SCHEMBL18851206 0.82 DRD2 (0.56) DRD2GAAACHEBACE1SIGMAR1
SCHEMBL29263630 0.82 DRD2 (0.62) DRD2GAASIGMAR1
SCHEMBL31245846 0.81 MAPT (0.67) MAPTDRD2LMNAALDH1A1GAA
SCHEMBL31246006 0.81 MAPT (0.63) MAPTDRD2LMNAALDH1A1GAA
SCHEMBL31245936 0.80 MAPT (0.61) MAPTDRD2LMNAALDH1A1GAA
SCHEMBL4129565 0.80 DRD2 (0.53) DRD2GAAACHEBACE1SIGMAR1

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
EP-4687854-A2 LIPIDS AND LIPID-LIKE COMPOUNDS FOR THERAPEUTIC LIPID NANOPARTICLE (LNP) DELIVERY Flagship Labs 114, Inc. (US) 2026-02-11 — — EP disclosed
WO-2024211865-A2 LIPIDS AND LIPID-LIKE COMPOUNDS FOR THERAPEUTIC LIPID NANOPARTICLE (LNP) DELIVERY OMEGA THERAPEUTICS, INC. (US) 2024-10-10 — — WO disclosed
Send feedback