SCHEMBL2367405

SCHEMBL2367405

CCOC(=O)CN(Cc1cc(C#Cc2ccc(N)cc2)cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n1)Cc1cc(C#Cc2ccc(N)cc2)cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 1/20 0.34
PPIA P62937 1/20 0.34
PPID Q08752 1/20 0.34
PPIG Q13427 1/20 0.34
ACACB O00763 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 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
SCHEMBL10367552 0.93 ACACB (0.37) ACACBGABRA1GABRG2GABRB3GABRA3
SCHEMBL17200916 0.89 ACACB (0.35) ACACBGABRA1GABRG2GABRB3GABRA3
SCHEMBL15618181 0.89 ACACB (0.35) ACACBGABRA1GABRG2GABRB3GABRA3
SCHEMBL2367316 0.89 FFAR1 (0.35) PPIBPPIAPPIDPPIGLMNA
SCHEMBL15622015 0.85 CA1 (0.33) ACACBNR1D1PRKCA
SCHEMBL10414727 0.82 SMN1; SMN2 (0.43) ACACBLMNAMAPTSMN1; SMN2MEN1
SCHEMBL9360082 0.82 ACACB (0.36) ACACBNR1D1PRKCANR1H3
SCHEMBL14721258 0.82 ALDH1A1 (0.36) GABRA2GABRB2LMNACYP1A2CYP3A4
SCHEMBL18674471 0.79 NR1H2 (0.35) ACACBLMNAALDH1A1MAPTHPGD
SCHEMBL6027858 0.79 NR1D1 (0.34) CYP1A2CYP3A4ALDH1A1NR1D1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367001-B1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use DHR FINLAND OY (FI) 2014-07-30 EP disclosed
EP-1447666-B1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use DHR FINLAND OY (FI) 2012-07-25 EP disclosed
EP-2367001-A1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use DHR Finland Oy (FI) 2011-09-21 EP disclosed
US-7018851-B2 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use INNOTRAC DIAGNOSTICS OY (FI) 2006-03-28 US disclosed
US-20040166585-A1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use INNOTRAC DIAGNOSTICS OY (FI) 2004-08-26 US disclosed
EP-1447666-A2 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use Innotrac Diagnostics Oy (FI) 2004-08-18 EP disclosed