SCHEMBL4629682

SCHEMBL4629682

Clc1ccc(CC2(C3(Cc4c(Cl)cccc4Cl)NCCN3)NCCN2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.37
IDO1 P14902 2/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
PNMT P11086 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CHRNA7 P36544 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR6 P50406 1/20 0.33

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
SCHEMBL4630003 0.76 P2RX7 (0.36) TAAR1POLB
SCHEMBL4630163 0.66 TAAR1 (0.32) TAAR1
SCHEMBL15537060 0.64 SLC6A2 (0.49) SIGMAR1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL16033870 0.63 AKT2 (0.50) SIGMAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL1221854 0.61 SLC6A2 (0.54) SIGMAR1SLC6A2SLC6A4SLC6A3PRMT5
SCHEMBL12586345 0.61 SIGMAR1 (0.44) SIGMAR1SLC6A2SLC6A4SLC6A3PNMT
SCHEMBL3300581 0.59 TSHR (0.58) SIGMAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL12585409 0.59 AKT2 (0.46) SLC6A2SLC6A4SLC6A3PNMTTAAR1
SCHEMBL3298586 0.59 IDO1 (0.64) SIGMAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL1822591 0.58 MAOA (0.48) PNMTTAAR1CYP2D6HIF1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP claimed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO claimed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed