SCHEMBL16257579

SCHEMBL16257579

COC1COCCC1NC1CCN(C(=O)c2ncnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2C)CC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.74
CCR5 P51681 4/20 0.58
KCNH2 Q12809 3/20 0.46
CCR1 P32246 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL16257543 0.93 CCR2 (0.74) CCR2CCR5KCNH2
SCHEMBL12180206 0.93 CCR2 (0.74) CCR2CCR5KCNH2
SCHEMBL12179972 0.87 CCR2 (0.84) CCR2CCR5KCNH2
SCHEMBL12179965 0.87 CCR2 (0.84) CCR2CCR5KCNH2
SCHEMBL16257578 0.87 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL16257520 0.86 CCR2 (0.77) CCR2CCR5KCNH2
SCHEMBL14848998 0.86 CCR2 (0.72) CCR2CCR5KCNH2
SCHEMBL16442363 0.86 CCR2 (0.63) CCR2CCR5KCNH2
SCHEMBL12180249 0.86 CCR2 (0.63) CCR2CCR5KCNH2
SCHEMBL16257577 0.86 CCR2 (0.79) CCR2CCR5KCNH2

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
US-8946218-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
EP-2569295-B1 NEW CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed