SCHEMBL9978692

SCHEMBL9978692

CCCCCCCCCCCCC1CCCNC1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.47
CYP19A1 P11511 4/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CXCR4 P61073 1/20 0.43
CYP1A2 P05177 3/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
NOD1 Q9Y239 1/20 0.37

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
SCHEMBL7622441 1.00 CCR2 (0.47) CCR2CYP19A1CCR1CCR5CXCR4
SCHEMBL1401505 0.98 CCR2 (0.46) CCR2CYP19A1CCR1CCR5CXCR4
SCHEMBL9003899 0.95 CCR2 (0.52) CCR2CYP19A1CCR1CCR5CXCR4
SCHEMBL28510248 0.95 CCR2 (0.52) CCR2CYP19A1CCR1CCR5CXCR4
SCHEMBL5871975 0.95 CCR2 (0.52) CCR2CYP19A1CCR1CCR5CXCR4
SCHEMBL874895 0.95 CCR2 (0.52) CCR2CYP19A1CCR1CCR5CXCR4
SCHEMBL15253305 0.95 CCR2 (0.52) CCR2CYP19A1CCR1CCR5CXCR4
SCHEMBL229898 0.95 CCR2 (0.52) CCR2CYP19A1CCR1CCR5CXCR4
SCHEMBL181231 0.93 CCR2 (0.51) CCR2CYP19A1CCR1CCR5CXCR4
SCHEMBL5754395 0.93 CCR2 (0.42) CCR2CYP19A1CCR1CCR5CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531229-A2 MEDICAL PRODUCT WITH A PARTICLE-FREE COATING RELEASING AN ACTIVE SUBSTANCE Hemoteq AG (DE) 2012-12-12 EP claimed
WO-2011147408-A2 MEDICAL PRODUCT WITH A PARTICLE-FREE COATING RELEASING AN ACTIVE SUBSTANCE HEMOTEQ AG (DE) 2011-12-01 WO claimed
EP-2531229-A2 MEDICAL PRODUCT WITH A PARTICLE-FREE COATING RELEASING AN ACTIVE SUBSTANCE Hemoteq AG (DE) 2012-12-12 EP disclosed
WO-2011147408-A2 MEDICAL PRODUCT WITH A PARTICLE-FREE COATING RELEASING AN ACTIVE SUBSTANCE HEMOTEQ AG (DE) 2011-12-01 WO disclosed