SCHEMBL4686979

SCHEMBL4686979

O=C(O)c1ccc(OCCCC2CCCNC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
ACP1 P24666 2/20 0.48
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G4B P0C869 2/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RARB P10826 2/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHEK2 O96017 1/20 0.43
HTT P42858 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
SCHEMBL5185586 0.92 ITGB3 (0.54) KMT2AMEN1PKMITGB3ITGA2B
SCHEMBL5561686 0.89 KMT2A (0.47) KMT2AACP1MEN1ITGB3ITGA2B
SCHEMBL6187060 0.86 KMT2A (0.46) KMT2AACP1ITGB3ITGA2BCHEK2
SCHEMBL5187226 0.86 MAPT (0.54) KMT2AACP1MEN1ALDH1A1L3MBTL1
SCHEMBL12718932 0.84 ITGB3 (0.63) KMT2AMEN1PKMITGB3ITGA2B
SCHEMBL9634931 0.84 MEN1 (0.60) KMT2AMEN1PKMTP53TSHR
SCHEMBL11717409 0.82 CHEK2 (0.42) KMT2AACP1ITGB3ITGA2BCHEK2
SCHEMBL28283793 0.81 NPY1R (0.57)
SCHEMBL4462919 0.81 NFE2L2 (0.57) KMT2A
SCHEMBL6631583 0.81 PARP10 (0.47) KMT2AACP1ITGB3ITGA2BRARB

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
EP-1866293-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP disclosed
EP-1866294-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed
WO-2006103045-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA S.A. (BE) 2006-10-05 WO disclosed
WO-2006103057-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2006-10-05 WO disclosed