SCHEMBL6612925

SCHEMBL6612925

Cc1nn(-c2ccccc2)c(C)c1CN1CCC2(CC1)C(=O)NC(CC(C)C)C(=O)N2Cc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.62
CXCR4 P61073 1/20 0.47

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
SCHEMBL6012398 0.93 CCR5 (0.72) CCR5
SCHEMBL6615034 0.92 CCR5 (0.65) CCR5
SCHEMBL6613627 0.89 CCR5 (0.66) CCR5
SCHEMBL6013012 0.89 CCR5 (0.63) CCR5CXCR4
SCHEMBL14404701 0.88 CCR5 (0.64) CCR5
SCHEMBL6617250 0.88 CCR5 (0.64) CCR5
SCHEMBL6614716 0.87 CCR5 (0.61) CCR5
SCHEMBL6610385 0.87 CCR5 (0.64) CCR5
SCHEMBL6611953 0.86 CCR5 (0.83) CCR5
SCHEMBL6613309 0.86 CCR5 (0.57) CCR5

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