SCHEMBL5136872

SCHEMBL5136872

CCCCC(c1cnc(-c2ccccc2)n1CCCC)N(Cc1ccccc1)Cc1ccc(OC)c(C(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
QPCT Q16769 1/20 0.35
HPGD P15428 2/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL5137573 0.94 CXCR3 (0.39) LMNAMEN1KMT2APOLBTDP1
SCHEMBL5136929 0.91 LTB4R2 (0.37) LMNAMEN1KMT2APOLBTDP1
SCHEMBL5136262 0.87 TLR7 (0.41)
SCHEMBL5074803 0.86 MEN1 (0.36) LMNAMEN1KMT2APOLBTDP1
SCHEMBL5135244 0.86 KDM4E (0.35) LMNAMEN1KMT2APOLBTDP1
SCHEMBL5134753 0.84 STAT3 (0.40) LTB4R2
SCHEMBL5137555 0.84 HTT (0.42) LMNAMEN1KMT2APOLBTDP1
SCHEMBL5134552 0.83 TSHR (0.40) LMNAHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL5137622 0.83 CXCR3 (0.44) CXCR3
SCHEMBL650145 0.83 LPAR1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed