SCHEMBL6613893

SCHEMBL6613893

O=C1CNC(=O)C2(CCN(CCCc3ccccc3)CC2)N1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
SIGMAR1 Q99720 3/20 0.48
CCR5 P51681 6/20 0.47
CXCR4 P61073 2/20 0.46
CCR3 P51677 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6610245 0.97 CCR3 (0.51) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL6615585 0.95 CCR5 (0.52) SIGMAR1CCR5CXCR4CCR3
SCHEMBL7483160 0.95 CCR5 (0.52) SIGMAR1CCR5CXCR4CCR3
SCHEMBL6612028 0.93 LMNA (0.51) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL6613037 0.92 SIGMAR1 (0.49) SIGMAR1CCR5CXCR4KMT2A
SCHEMBL6611259 0.92 SIGMAR1 (0.50) SIGMAR1CCR5CXCR4CCR3
SCHEMBL6614177 0.89 CCR5 (0.57) SIGMAR1CCR5CXCR4
SCHEMBL6612763 0.88 CCR5 (0.52) OPRM1SIGMAR1CCR5CXCR4CCR3
SCHEMBL6615174 0.88 OPRL1 (0.61) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL6614708 0.88 CCR5 (0.47) OPRM1OPRD1OPRK1OPRL1SIGMAR1

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