SCHEMBL325375

SCHEMBL325375

Clc1ccc(C(c2nnn[nH]2)N2CCOCC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
ADAM17 P78536 1/20 0.39
MCL1 Q07820 1/20 0.39
CNR2 P34972 1/20 0.38
P4HB P07237 1/20 0.36
SMAD3 P84022 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PHGDH O43175 1/20 0.36
AR P10275 1/20 0.36
MAPT P10636 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 2/20 0.35

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
SCHEMBL324760 0.87 ALDH1A1 (0.45) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL325002 0.85 ALDH1A1 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL325009 0.76 ALDH1A1 (0.61) ALDH1A1KMT2AGAACNR2AR
Hydrochloric Acid SCHEMBL324720 0.75 ALDH1A1 (0.60) SLC6A2ALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL12503222 0.71 CYP2D6 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL324172 0.70 CYP2D6 (0.67) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL323778 0.69 CHRM2 (0.58) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL327686 0.68 CYP2D6 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL11007040 0.67 ALDH1A1 (0.70) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL16830368 0.67 ALDH1A1 (0.32) ALDH1A1

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-2590953-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2013-05-15 EP claimed
WO-2012004604-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2012-01-12 WO claimed
EP-2590953-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2013-05-15 EP disclosed
WO-2012004604-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2012-01-12 WO disclosed