SCHEMBL6012743

SCHEMBL6012743

CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 1.00
CYP3A4 P08684 2/20 0.98
CYP2D6 P10635 1/20 0.98
CYP2C9 P11712 1/20 0.98

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
SCHEMBL6012878 1.00 CCR5 (1.00) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012575 1.00 CCR5 (1.00) CCR5CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5612328 0.99 CCR5 (1.00) CCR5CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5612385 0.99 CCR5 (1.00) CCR5CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5611848 0.99 CCR5 (1.00) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012687 0.96 CCR5 (1.00) CCR5CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5612864 0.95 CCR5 (1.00) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL14423217 0.93 CCR5 (0.87) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012897 0.93 CCR5 (0.87) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012901 0.93 CCR5 (0.87) 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 8 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
US-7285552-B2 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2007-10-23 US disclosed
US-7285552-B2 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2007-10-23 US disclosed
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-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