SCHEMBL6617413

SCHEMBL6617413

CN1CCC2(CC1)C(=O)NC(Cc1ccccc1)C(=O)N2CCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.53
KMT2A Q03164 3/20 0.47
TACR2 P21452 2/20 0.46
CCR5 P51681 10/20 0.46
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
IDO1 P14902 1/20 0.45
RIPK1 Q13546 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL6613217 0.93 MAPT (0.53) CXCR3KMT2AMAPTTP53GLA
SCHEMBL6612412 0.93 KMT2A (0.52) CXCR3KMT2ATACR2CCR5MAPT
SCHEMBL6614723 0.91 CXCR3 (0.54) CXCR3KMT2ACCR5HTR1ADRD2
SCHEMBL6609843 0.91 CXCR3 (0.49) CXCR3KMT2ATACR2CCR5MAPT
SCHEMBL6611736 0.90 CCR5 (0.44) CXCR3CCR5HTR1ADRD2DRD4
SCHEMBL6612079 0.89 CCR5 (0.53) CXCR3KMT2ACCR5HTR1ADRD2
SCHEMBL6612546 0.89 KMT2A (0.59) CXCR3KMT2ATACR2CCR5MAPT
SCHEMBL6644502 0.89 CCR5 (0.57) CXCR3KMT2ACCR5HTR1ADRD2
SCHEMBL6611715 0.88 CCR5 (0.58) CXCR3KMT2ACCR5HTR1ADRD2
SCHEMBL6612552 0.88 CCR5 (0.58) CXCR3KMT2ACCR5HTR1ADRD2

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