SCHEMBL4563334

SCHEMBL4563334

O=C(c1cn(-c2cc(C(F)(F)F)ccn2)cn1)N1CCC(NC2CCC(O)(c3ccc(-c4ncccn4)nc3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.54
KCNH2 Q12809 8/20 0.54

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
SCHEMBL4331176 1.00 CCR2 (0.54) CCR2KCNH2
SCHEMBL13751300 0.86 CCR2 (0.73) CCR2KCNH2
SCHEMBL13613111 0.86 CCR2 (0.73) CCR2KCNH2
SCHEMBL13627017 0.80 CCR2 (0.49) CCR2KCNH2
SCHEMBL4333182 0.76 KDM5A (0.45) CCR2KCNH2
SCHEMBL15760367 0.74 MAP3K12 (0.46)
SCHEMBL4331493 0.74 CCR2 (0.75) CCR2KCNH2
SCHEMBL4329413 0.72 HCRTR1 (0.45) KCNH2
SCHEMBL4340356 0.72 HCRTR1 (0.45) KCNH2
SCHEMBL13613110 0.72 CFTR (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696919-A4 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2009-07-01 EP disclosed
EP-1696919-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2006-09-06 EP disclosed
WO-2005060665-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-07-07 WO disclosed