SCHEMBL7474576

SCHEMBL7474576

CN1CCC2(CC1)C(=O)NC(COCc1ccccc1)C(=O)N2CC1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.44
CXCR3 P49682 1/20 0.41

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
SCHEMBL6613458 0.91 CCR5 (0.47) CCR5
SCHEMBL6612434 0.90 CCR5 (0.41) CCR5CXCR3
SCHEMBL6614334 0.90 CCR5 (0.52) CCR5CXCR3
SCHEMBL6616196 0.89 CCR5 (0.51) CCR5
SCHEMBL6615306 0.89 CXCR3 (0.52) CCR5CXCR3
SCHEMBL6610540 0.88 CCR5 (0.55) CCR5
SCHEMBL6609897 0.88 CCR5 (0.56) CCR5
SCHEMBL6613633 0.88 CCR5 (0.56) CCR5
SCHEMBL6614000 0.87 CCR5 (0.54) CCR5CXCR3
SCHEMBL6615179 0.84 CCR5 (0.61) CCR5CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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