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SCHEMBL6612912

SCHEMBL6612912

CC(C)(C)OC(=O)CCN1C(=O)CNC(=O)C12CCN(CCCCc1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.45
▸ CCR5 P51681 12/20 0.45
▸ CXCR4 P61073 2/20 0.44
▸ KCNA3 P22001 1/20 0.40

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
SCHEMBL6611718 0.99 CCR5 (0.46) SIGMAR1CCR5CXCR4KCNA3
SCHEMBL6612822 0.99 CCR5 (0.46) SIGMAR1CCR5CXCR4KCNA3
SCHEMBL6614137 0.97 SIGMAR1 (0.48) SIGMAR1CCR5CXCR4KCNA3
SCHEMBL6611278 0.94 CCR5 (0.43) SIGMAR1CCR5
SCHEMBL6613639 0.89 OPRL1 (0.46) SIGMAR1CCR5
SCHEMBL6612763 0.84 CCR5 (0.52) SIGMAR1CCR5CXCR4
SCHEMBL6612342 0.83 CCR5 (0.43) SIGMAR1CCR5
SCHEMBL6613644 0.83 CCR5 (0.58) CCR5CXCR4
SCHEMBL6615208 0.83 CCR5 (0.61) SIGMAR1CCR5CXCR4
SCHEMBL6608842 0.83 CCR5 (0.53) SIGMAR1CCR5CXCR4

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