SCHEMBL6612968

SCHEMBL6612968

O=C1C(Cc2c[nH]c3ccccc23)NC(=O)C2(CCN(Cc3ccccc3)CC2)N1CC(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.54
KMT2A Q03164 3/20 0.53
CXCR3 P49682 1/20 0.52
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
TNF P01375 1/20 0.46
TACR1 P25103 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
SCHEMBL6612872 0.92 CCR5 (0.48) CCR5KMT2ACXCR3MEN1L3MBTL1
SCHEMBL6613290 0.91 CCR5 (0.62) CCR5KMT2ACXCR3MEN1L3MBTL1
SCHEMBL6012394 0.90 CCR5 (0.55) CCR5KMT2ACXCR3MEN1
SCHEMBL6013183 0.90 CCR5 (0.53) CCR5KMT2ACXCR3MEN1
SCHEMBL6613668 0.89 CCR5 (0.56) CCR5KMT2ACXCR3MEN1
SCHEMBL6612516 0.89 CCR5 (0.56) CCR5KMT2ACXCR3MEN1
SCHEMBL6611370 0.89 MAPT (0.49) CCR5KMT2AMEN1L3MBTL1TNF
SCHEMBL6613676 0.88 CXCR3 (0.58) CCR5KMT2ACXCR3MEN1L3MBTL1
SCHEMBL6612310 0.88 CXCR3 (0.58) CCR5KMT2ACXCR3MEN1L3MBTL1
SCHEMBL6614773 0.88 KMT2A (0.46) KMT2AMEN1L3MBTL1TNFTACR1

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