SCHEMBL17296202

SCHEMBL17296202

O=Cc1ccc(OCCCCN2CCOCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPK1 P28482 2/20 0.62
CYP1A2 P05177 1/20 0.62
CHRM2 P08172 1/20 0.62
CHRM1 P11229 1/20 0.62
HTR2A P28223 1/20 0.62
SCN1A P35498 1/20 0.62
HTR2B P41595 1/20 0.62
KCNH2 Q12809 1/20 0.62
SCN2A Q99250 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
SCN3A Q9NY46 1/20 0.62
USP2 O75604 1/20 0.61
LMNA P02545 1/20 0.61
KDM4E B2RXH2 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL4730254 0.96 HRH3 (0.68) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL210577 0.91 LTA4H (0.63) HRH3ALDH1A1MAPK1CYP1A2CHRM2
Hydrochloric Acid SCHEMBL5692401 0.90 NPC1 (0.63) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL30409990 0.87 HRH3 (0.65) HRH3ALDH1A1KCNH2LMNAKDM4E
SCHEMBL30411052 0.85 HRH3 (0.68) HRH3KCNH2LMNAMEN1KMT2A
SCHEMBL30409967 0.85 MEN1 (0.66) HRH3KCNH2LMNAMEN1KMT2A
SCHEMBL30410512 0.85 MEN1 (0.66) HRH3KCNH2LMNAMEN1KMT2A
SCHEMBL17296296 0.85 ALDH1A1 (0.68) ALDH1A1SIGMAR1KDM4ESMN1; SMN2TSHR
SCHEMBL30409879 0.84 HRH3 (0.67) HRH3KCNH2LMNAMEN1KMT2A
SCHEMBL30410433 0.84 HRH3 (0.67) HRH3KCNH2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4168396-B1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV FRANCHE COMTE (FR) 2024-07-31 EP disclosed
EP-4168396-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Universite De Franche Comte (FR) 2023-04-26 EP disclosed
WO-2021260072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITE DE FRANCHE COMTE (FR) 2021-12-30 WO disclosed
EP-3929186-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Université de Franche-Comté (FR) 2021-12-29 EP disclosed
WO-2015184222-A1 INHIBITORS OF HEPATOCYTE GROWTH FACTOR [HGF] AND MACROPHAGE STIMULATING PROTEIN [MSP] MATURATION SOUTHERN RESEARCH INSTITUTE (US) 2015-12-03 WO disclosed