SCHEMBL6613290

SCHEMBL6613290

O=C1C(Cc2c[nH]c3ccccc23)NC(=O)C2(CCN(Cc3ccccc3)CC2)N1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.62
KMT2A Q03164 3/20 0.59
CXCR3 P49682 1/20 0.57
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
TNF P01375 1/20 0.51
TACR1 P25103 2/20 0.49

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
SCHEMBL6612384 0.93 KMT2A (0.55) CCR5KMT2ACXCR3MEN1L3MBTL1
SCHEMBL6613676 0.93 CXCR3 (0.58) CCR5KMT2ACXCR3MEN1L3MBTL1
SCHEMBL6612310 0.93 CXCR3 (0.58) CCR5KMT2ACXCR3MEN1L3MBTL1
SCHEMBL6612546 0.92 KMT2A (0.59) CCR5KMT2ACXCR3MEN1L3MBTL1
SCHEMBL6618147 0.92 CXCR3 (0.70) CCR5KMT2ACXCR3
SCHEMBL6611637 0.91 CCR5 (0.52) CCR5KMT2ACXCR3MEN1L3MBTL1
SCHEMBL6612968 0.91 CCR5 (0.54) CCR5KMT2ACXCR3MEN1L3MBTL1
SCHEMBL6612363 0.91 CCR5 (0.53) CCR5KMT2ACXCR3MEN1L3MBTL1
SCHEMBL6612142 0.91 CCR5 (0.56) CCR5KMT2ACXCR3MEN1L3MBTL1
SCHEMBL6614855 0.91 KMT2A (0.57) CCR5KMT2ACXCR3MEN1L3MBTL1

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