SCHEMBL6612178

SCHEMBL6612178

CN1CCC2(CC1)C(=O)NC(Cc1c[nH]c3ccccc13)C(=O)N2Cc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
IDO1 P14902 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
THRB P10828 1/20 0.48
RIPK1 Q13546 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
TNF P01375 1/20 0.43
CCR5 P51681 3/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL6612358 0.90 KMT2A (0.46) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL6611637 0.89 CCR5 (0.52) KMT2AMEN1L3MBTL1TNFCCR5
SCHEMBL6616307 0.88 KMT2A (0.47) KMT2AMEN1L3MBTL1CCR5
SCHEMBL6612546 0.88 KMT2A (0.59) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL6614098 0.87 CCR5 (0.51) KMT2AMEN1L3MBTL1CCR5
SCHEMBL6614418 0.87 CCR5 (0.49) KMT2AMEN1L3MBTL1CCR5
SCHEMBL6613793 0.86 CCR5 (0.52) KMT2AMEN1L3MBTL1CCR5
SCHEMBL6613217 0.85 MAPT (0.53) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL6610823 0.85 CXCR3 (0.53) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL6610912 0.84 CXCR3 (0.56) MAPTKMT2AMEN1ALDH1A1POLB

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