SCHEMBL25455010

SCHEMBL25455010

CN(C)CCCOc1ccc(-c2cncc(-c3cc4ccccc4n3CCN(C)C)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.49
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
ATM Q13315 1/20 0.42
FGFR1 P11362 2/20 0.41
SRC P12931 2/20 0.41
CXCR1 P25024 1/20 0.41
PTPN1 P18031 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
TLR7 Q9NYK1 2/20 0.39

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
SCHEMBL25454993 0.93 LSS (0.45) LSSDRD2DRD3ATMFGFR1
SCHEMBL25455126 0.88 LSS (0.46) LSSDRD2DRD3FGFR1SRC
SCHEMBL25455135 0.87 LSS (0.41) LSSDRD2DRD3ATMFGFR1
SCHEMBL25455130 0.84 MCHR1 (0.46) LSSDRD2DRD3FGFR1SRC
SCHEMBL25455081 0.83 LSS (0.41) LSSDRD2DRD3ATMFGFR1
SCHEMBL25454983 0.83 MCHR1 (0.47) LSSFGFR1SRCALDH1A1
SCHEMBL25455021 0.83 CA12 (0.47) LSSDRD2DRD3ATMFGFR1
SCHEMBL25455084 0.82 ESR1 (0.46) FGFR1SRCALDH1A1
SCHEMBL25455120 0.81 MCHR1 (0.46) LSSFGFR1SRCALDH1A1
SCHEMBL25455139 0.81 ESR1 (0.44) LSSDRD2DRD3ATM

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
WO-2023079033-A1 PHARMACEUTICAL COMPOSITION, ITS USE AS A DRUG AND NEW COMPOUNDS, ESPECIALLY FOR TREATING SARS-COV-2 INFECTION Universite de Bordeaux (FR) 2023-05-11 WO disclosed
EP-4176875-A1 PHARMACEUTICAL COMPOSITION, ITS USE AS A DRUG AND NEW COMPOUNDS, ESPECIALLY FOR TREATING SARS-COV-2 INFECTION Université de Bordeaux (FR) 2023-05-10 EP disclosed