SCHEMBL6012695

SCHEMBL6012695

CCCCN1C(=O)C(C(O)C(C)C)NC(=O)C12CCN(Cc1c(C)nn(-c3ccc(C)cc3)c1C)CC2

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.60
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46

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
SCHEMBL5343697 1.00 CCR5 (0.60) CCR5CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6010876 0.99 CCR5 (0.61) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL5341792 0.95 CCR5 (0.59) CCR5CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7133052 0.94 CCR5 (0.60) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL5349202 0.94 CCR5 (0.60) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6013241 0.94 CCR5 (0.68) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012541 0.94 CCR5 (0.68) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012361 0.94 CCR5 (0.68) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012511 0.94 CCR5 (0.68) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012546 0.94 CCR5 (0.68) CCR5CYP3A4CYP2D6CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119091-B2 Triazaspiro[5.5]undecane derivatives and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-10 US claimed
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 claimed
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 claimed
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-1438962-A1 DRUGS COMPRISING COMBINATION OF TRIAZASPIRO 5,5 U NDECANE DERIVATIVE WITH CYTOCHROME P450 ISOZYME 3A4 INHIBITOR AND/OR P−GLYCOPROTEIN INHIBITOR ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP disclosed
EP-1378509-A1 DRUGS CONTAINING TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 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