SCHEMBL4676367

SCHEMBL4676367

c1cc(COc2ccc(N3CCNCC3)cc2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.60
NCF1 P14598 1/20 0.60
PLD1 Q13393 1/20 0.60
ADRB1 P08588 3/20 0.51
HTR3E A5X5Y0 2/20 0.51
HTR3B O95264 2/20 0.51
HTR3A P46098 2/20 0.51
HTR3D Q70Z44 2/20 0.51
HTR3C Q8WXA8 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
LTA4H P09960 4/20 0.49
PRMT5 O14744 5/20 0.47
HTR1A P08908 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
FGFR1 P11362 1/20 0.43

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
SCHEMBL335477 0.85 LTA4H (0.64) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4676358 0.84 ITGB3 (0.43) LTA4HFGFR1
Hydrochloric Acid SCHEMBL2156238 0.84 LTA4H (0.62) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4674253 0.83 HTR6 (0.59) ADRB2NCF1PLD1ADRB1HTR3E
SCHEMBL12916421 0.82 ADRB1 (0.65) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL381355 0.82 PRMT5 (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5230479 0.80 LTA4H (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7947463 0.79 HRH3 (0.61)
SCHEMBL7958205 0.78 F10 (0.53)
SCHEMBL4674747 0.77 CYP1A2 (0.54) ADRB2NCF1PLD1ADRB1HTR3E

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
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed