SCHEMBL6012507

SCHEMBL6012507

CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2

nearest known ligand 0.98

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.98
CYP3A4 P08684 3/20 0.82
CYP2C9 P11712 3/20 0.82
CYP2D6 P10635 1/20 0.82

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
Hydrochloric Acid SCHEMBL5612426 0.99 CCR5 (1.00) CCR5CYP3A4CYP2C9CYP2D6
SCHEMBL6012833 0.97 CCR5 (1.00) CCR5CYP3A4CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL5612164 0.97 CCR5 (1.00) CCR5CYP3A4CYP2C9CYP2D6
SCHEMBL6012805 0.93 CCR5 (0.85) CCR5CYP3A4CYP2C9CYP2D6
SCHEMBL6012406 0.92 CCR5 (0.84) CCR5CYP3A4CYP2C9CYP2D6
SCHEMBL6012767 0.92 CCR5 (0.84) CCR5CYP3A4CYP2C9CYP2D6
SCHEMBL6012555 0.92 CCR5 (0.84) CCR5CYP3A4CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL5611817 0.92 CCR5 (0.86) CCR5CYP3A4CYP2C9CYP2D6
SCHEMBL6617945 0.92 CCR5 (0.83) CCR5CYP3A4CYP2C9CYP2D6
SCHEMBL6012227 0.92 CCR5 (0.83) CCR5CYP3A4CYP2C9CYP2D6

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-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 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