SCHEMBL6614855

SCHEMBL6614855

O=C1C(Cc2c[nH]c3ccccc23)NC(=O)C2(CCN(c3ccccc3)CC2)N1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
CCR5 P51681 4/20 0.50
TNF P01375 1/20 0.49
TACR1 P25103 3/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
CXCR3 P49682 1/20 0.47
IDO1 P14902 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 1/20 0.45
RIPK1 Q13546 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6613040 0.91 KMT2A (0.50) KMT2AMEN1L3MBTL1CCR5TNF
SCHEMBL6612546 0.91 KMT2A (0.59) KMT2AMEN1L3MBTL1CCR5TNF
SCHEMBL6613290 0.91 CCR5 (0.62) KMT2AMEN1L3MBTL1CCR5TNF
SCHEMBL6617457 0.89 DRD2 (0.50) KMT2AMEN1L3MBTL1TNFDRD2
SCHEMBL6612358 0.89 KMT2A (0.46) KMT2AMEN1L3MBTL1TNFTACR1
SCHEMBL6612813 0.88 CXCR3 (0.52) KMT2AMEN1L3MBTL1CCR5DRD2
SCHEMBL6612384 0.87 KMT2A (0.55) KMT2AMEN1L3MBTL1CCR5TNF
SCHEMBL6609843 0.87 CXCR3 (0.49) KMT2AMEN1L3MBTL1CCR5DRD2
SCHEMBL6614773 0.87 KMT2A (0.46) KMT2AMEN1L3MBTL1TNFTACR1
SCHEMBL6612142 0.86 CCR5 (0.56) KMT2AMEN1L3MBTL1CCR5DRD2

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