SCHEMBL6972961

SCHEMBL6972961

O=C(CCc1ccccc1)CC(=O)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
POLB P06746 1/20 0.54
EPHX1 P07099 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
MEN1 O00255 2/20 0.52
KCNH2 Q12809 1/20 0.52
HTR1A P08908 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
PKM P14618 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
ALDH1A1 P00352 2/20 0.50
ACHE P22303 2/20 0.50
CAPN1 P07384 1/20 0.50
EPHX2 P34913 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
MGLL Q99685 1/20 0.49

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
SCHEMBL6973290 0.81 EPHX1 (0.61) KMT2AEPHX1PTPN2PTPN1MEN1
SCHEMBL9404055 0.79 ALDH1A1 (0.61) EPHX1TAAR1ALDH1A1EPHX2
SCHEMBL6969542 0.79 MGLL (0.62) KMT2APTPN2PTPN1MEN1ALDH1A1
SCHEMBL24663619 0.76 ACHE (0.64) KMT2AEPHX1PTPN2PTPN1MEN1
SCHEMBL7499151 0.76 ACHE (0.59) KMT2AEPHX1PTPN2PTPN1MEN1
SCHEMBL6970106 0.76 ACHE (0.65) KMT2APOLBMEN1ALDH1A1ACHE
SCHEMBL13472207 0.75 ACHE (0.57) KMT2AEPHX1PTPN2PTPN1MEN1
SCHEMBL6981291 0.74 MGLL (0.70) KMT2AEPHX1MEN1EPHX2MGLL
SCHEMBL1673861 0.74 MAPT (0.73) KMT2AEPHX1PTPN2PTPN1MEN1
SCHEMBL13636742 0.73 MEN1 (0.60) KMT2AEPHX1PTPN2PTPN1MEN1

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-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 EP disclosed
EP-0892795-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-01-27 EP disclosed
WO-1997038992-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-23 WO disclosed