SCHEMBL16257549

SCHEMBL16257549

COC1COCCC1NC1CCN(C(=O)c2ncnc(Nc3cccc(-c4ccncc4)c3)c2C)CC1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.73
CCR5 P51681 7/20 0.56
PIP5K1C O60331 2/20 0.39
PIK3CA P42336 2/20 0.39
KCNH2 Q12809 3/20 0.37
BRD4 O60885 1/20 0.37
EP300 Q09472 1/20 0.37
CREBBP Q92793 1/20 0.37
SYK P43405 1/20 0.36

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
SCHEMBL16257577 0.90 CCR2 (0.79) CCR2CCR5KCNH2SYK
SCHEMBL16257520 0.88 CCR2 (0.77) CCR2CCR5KCNH2
SCHEMBL16257578 0.88 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL12180206 0.86 CCR2 (0.74) CCR2CCR5KCNH2
SCHEMBL16257543 0.86 CCR2 (0.74) CCR2CCR5KCNH2
SCHEMBL16257562 0.85 CCR2 (0.79) CCR2CCR5KCNH2
SCHEMBL16257583 0.85 CCR2 (0.79) CCR2CCR5KCNH2
SCHEMBL16442358 0.85 CCR2 (0.79) CCR2CCR5KCNH2
SCHEMBL14848998 0.85 CCR2 (0.72) CCR2CCR5KCNH2
SCHEMBL16257551 0.84 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