SCHEMBL6612358

SCHEMBL6612358

O=C1C(Cc2c[nH]c3ccccc23)NC(=O)C2(CCN(c3ccccc3)CC2)N1Cc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
MAPT P10636 4/20 0.42
IDO1 P14902 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
RIPK1 Q13546 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TNF P01375 1/20 0.42
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL6612178 0.90 MAPT (0.48) KMT2AMEN1L3MBTL1MAPTIDO1
SCHEMBL6611637 0.89 CCR5 (0.52) KMT2AMEN1L3MBTL1TNFTACR1
SCHEMBL6614855 0.89 KMT2A (0.57) KMT2AMEN1L3MBTL1DRD2DRD4
SCHEMBL6616307 0.87 KMT2A (0.47) KMT2AMEN1L3MBTL1DRD2DRD4
SCHEMBL6616504 0.86 CXCR3 (0.51) KMT2AMEN1MAPTCYP3A4GAA
SCHEMBL6614098 0.86 CCR5 (0.51) KMT2AMEN1L3MBTL1DRD2DRD4
SCHEMBL6614418 0.86 CCR5 (0.49) KMT2AMEN1L3MBTL1DRD2DRD4
SCHEMBL6617457 0.85 DRD2 (0.50) KMT2AMEN1L3MBTL1DRD2DRD4
SCHEMBL6613793 0.85 CCR5 (0.52) KMT2AMEN1L3MBTL1DRD2DRD4
SCHEMBL6612813 0.84 CXCR3 (0.52) KMT2AMEN1L3MBTL1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236726-B1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-12-01 EP disclosed
EP-1236726-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 EP disclosed