SCHEMBL8023930

SCHEMBL8023930

O=C(NC1CCN(Cc2ccccc2)CC1)C(F)c1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
SIGMAR1 Q99720 13/20 0.63
SLC6A12 P48065 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
MCHR1 Q99705 1/20 0.58
KMT2A Q03164 2/20 0.57
DRD4 P21917 2/20 0.55
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55

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
SCHEMBL6261371 0.82 SIGMAR1 (0.65) L3MBTL1SIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL17294724 0.79 SIGMAR1 (0.65) SIGMAR1SLC6A12TMEM97MCHR1KMT2A
SCHEMBL17294721 0.79 SIGMAR1 (0.65) SIGMAR1SLC6A12TMEM97MCHR1KMT2A
SCHEMBL17294718 0.79 SIGMAR1 (0.65) SIGMAR1SLC6A12TMEM97MCHR1KMT2A
SCHEMBL3306841 0.79 SIGMAR1 (0.68) SIGMAR1KMT2ADRD4DRD2DRD3
SCHEMBL16828026 0.78 KMT2A (0.79) L3MBTL1SIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL8023923 0.77 SIGMAR1 (1.00) SIGMAR1
SCHEMBL2425554 0.77 SIGMAR1 (0.78) L3MBTL1SIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL4848461 0.77 SIGMAR1 (0.65) SIGMAR1KMT2ADRD4DRD2DRD3
SCHEMBL29712058 0.77 SIGMAR1 (0.65) SIGMAR1KMT2ADRD4DRD2DRD3

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-2000071171-A2 SIGMA-1 LIGANDS FOR DETERMINING CARCINOMA PROLIFERATIVE STATUS WAKE FOREST UNIVERSITY (US) 2000-11-30 WO claimed
WO-2000071171-A2 SIGMA-1 LIGANDS FOR DETERMINING CARCINOMA PROLIFERATIVE STATUS WAKE FOREST UNIVERSITY (US) 2000-11-30 WO disclosed