SCHEMBL6929886

SCHEMBL6929886

O=C1CCCC(=O)N1C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
ADRA1B P35368 1/20 0.43
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
CYP19A1 P11511 2/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 3/20 0.38
KCNH2 Q12809 3/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1D P25100 1/20 0.38

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
SCHEMBL9390740 0.80 ALDH1A1 (0.50) ALDH1A1PKMCHRM2CHRM4CHRM5
SCHEMBL9819292 0.74 CHRM2 (0.43) ADRA1BCHRM2CHRM4CHRM5CHRM1
SCHEMBL29021266 0.72 CHRM2 (0.39) ALDH1A1PKMCHRM2CHRM4CHRM5
SCHEMBL2175411 0.71 MGLL (0.44) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL6580284 0.71 CYP3A4 (0.47) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7933823 0.71 ALDH1A1 (0.43) ALDH1A1PKMCHRM2CHRM4CHRM5
SCHEMBL40439 0.71 ALDH1A1 (0.53) ALDH1A1PKMCHRM2CHRM4CHRM5
SCHEMBL15581083 0.71 ALDH1A1 (0.47) ALDH1A1PKMCHRM2CHRM4CHRM5
SCHEMBL17360649 0.70 KMT2A (0.41) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL11650115 0.69 MEN1 (0.42) ALDH1A1KMT2AMAPTKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433345-A1 PEPTIDE SYNTHESIS METHOD AND SOLID SUPPORT FOR USE IN THE METHOD. RISOE FORSKNINGSCENTER (DK) 1991-06-26 EP claimed
WO-1990002749-A1 PEPTIDE SYNTHESIS METHOD AND SOLID SUPPORT FOR USE IN THE METHOD Forskningscenter Risø (DK) 1990-03-22 WO claimed
EP-0960121-A4 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT DORTE (DK) 2003-05-28 EP disclosed
EP-0960121-A1 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT, Dorte (DK) 1999-12-01 EP disclosed
EP-0828709-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS FORSKNINGSCENTER RISO (DK) 1998-03-18 EP disclosed
WO-1998003542-A1 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT, DORTE (DK) 1998-01-29 WO disclosed
WO-1996038410-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS Forskningscenter Risø (DK) 1996-12-05 WO disclosed
EP-0703921-A1 GRAFTED CROSS-LINKED POLYOLEFIN SUBSTRATES FOR PEPTIDE SYNTHESIS AND ASSAYS FORSKNINGSCENTER RISO (DK) 1996-04-03 EP disclosed
WO-1995000533-A1 GRAFTED CROSS-LINKED POLYOLEFIN SUBSTRATES FOR PEPTIDE SYNTHESIS AND ASSAYS Forskningscenter Risø (DK) 1995-01-05 WO disclosed