SCHEMBL16257521

SCHEMBL16257521

CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.80
CCR5 P51681 10/20 0.80
KCNH2 Q12809 4/20 0.42

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
SCHEMBL16257573 1.00 CCR2 (0.80) CCR2CCR5KCNH2
SCHEMBL16257522 0.89 CCR2 (0.80) CCR2CCR5KCNH2
SCHEMBL16257523 0.89 CCR2 (0.80) CCR2CCR5KCNH2
SCHEMBL15083681 0.89 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL15083685 0.89 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL20976599 0.89 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL12180006 0.88 CCR2 (0.79) CCR2CCR5KCNH2
SCHEMBL12179993 0.88 CCR2 (0.79) CCR2CCR5KCNH2
SCHEMBL16257557 0.88 CCR2 (0.60) CCR2CCR5
SCHEMBL16257517 0.87 CCR2 (1.00) 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