SCHEMBL4677243

SCHEMBL4677243

CN(C)P(=O)(N(C)C)N1CCN(N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.55
SLC6A4 P31645 6/20 0.55
ADRA1D P25100 3/20 0.51
HTR2A P28223 7/20 0.50
HTR7 P34969 3/20 0.50
KCNH2 Q12809 3/20 0.50
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
ADRA1B P35368 1/20 0.45
HTR1A P08908 3/20 0.43
DRD1 P21728 2/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43
HTR6 P50406 1/20 0.43
APP P05067 1/20 0.43
CCR2 P41597 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR1B P28222 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL4677237 0.83 SLC6A4 (0.50) DRD2SLC6A4ADRA1DHTR2AHTR7
SCHEMBL18324829 0.77 DRD2 (0.61) DRD2SLC6A4ADRA1DHTR2AHTR7
SCHEMBL4672945 0.76 OPRM1 (0.64) DRD2SLC6A4ADRA1DHTR2AHTR7
Bromide SCHEMBL7870891 0.75 DRD2 (0.73) DRD2SLC6A4ADRA1DHTR2AHTR7
Hydrochloric Acid SCHEMBL7867314 0.75 DRD2 (0.73) DRD2SLC6A4ADRA1DHTR2AHTR7
SCHEMBL4671289 0.74 SLC6A4 (0.52) DRD2SLC6A4HTR2AOPRM1OPRL1
SCHEMBL18324890 0.74 DRD2 (0.63) DRD2SLC6A4ADRA1DHTR2AHTR7
SCHEMBL16802074 0.74 KDM4E (0.69) DRD2SLC6A4ADRA1DHTR2AHTR7
SCHEMBL18324826 0.72 DRD2 (0.61) DRD2SLC6A4ADRA1DHTR2AHTR7
SCHEMBL6184605 0.72 DRD2 (0.61) DRD2SLC6A4ADRA1DHTR2AHTR7

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