SCHEMBL6611552

SCHEMBL6611552

O=C1C(Cc2c[nH]c3ccccc23)NC(=O)C2(CCN(Cc3ccccc3)CC2)N1CC1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
CXCR3 P49682 1/20 0.48
CCR5 P51681 8/20 0.47
TACR1 P25103 2/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
TNF P01375 1/20 0.43

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
SCHEMBL6611409 0.92 CCR5 (0.45) KMT2ACXCR3CCR5TACR1MEN1
SCHEMBL6610820 0.91 CCR5 (0.51) KMT2ACXCR3CCR5TACR1MEN1
SCHEMBL6613828 0.91 CCR5 (0.49) KMT2ACXCR3CCR5TACR1MEN1
SCHEMBL6614319 0.90 CCR5 (0.52) KMT2ACXCR3CCR5TACR1MEN1
SCHEMBL6612135 0.90 CCR5 (0.52) KMT2ACXCR3CCR5TACR1MEN1
SCHEMBL6614375 0.89 KMT2A (0.43) KMT2ATACR1MEN1L3MBTL1TNF
SCHEMBL6612019 0.89 MAPT (0.46) KMT2ATACR1MEN1L3MBTL1
SCHEMBL6615823 0.88 CXCR3 (0.61) CXCR3CCR5
SCHEMBL6613290 0.87 CCR5 (0.62) KMT2ACXCR3CCR5TACR1MEN1
SCHEMBL2086680 0.84 CXCR3 (0.69) CXCR3CCR5

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