SCHEMBL5728952

SCHEMBL5728952

O=C(/C=C\C1CCCNC1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.71

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
SCHEMBL5728959 1.00 CCR2 (0.71) CCR2
SCHEMBL5730592 0.84 CCR2 (0.52) CCR2
SCHEMBL5730590 0.84 CCR2 (0.52) CCR2
SCHEMBL88313 0.79 CCR2 (0.81) CCR2
SCHEMBL88314 0.79 CCR2 (0.81) CCR2
SCHEMBL5729105 0.78 PLD2 (0.54)
SCHEMBL7260937 0.75 ADRA1D (0.69) CCR2
Hydrochloric Acid SCHEMBL7255564 0.74 ADRA1D (0.67)
SCHEMBL9671476 0.73 CCR2 (0.67) CCR2
SCHEMBL9671467 0.73 CCR2 (0.67) CCR2

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-1044197-B1 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS ASTELLAS PHARMA GMBH (DE) 2006-04-19 EP claimed