SCHEMBL16257523

SCHEMBL16257523

COc1nc(Nc2ccc(Cl)c(Cl)c2)c(C)c(C(=O)N2CCC(N[C@H]3CCOC[C@H]3OC)CC2)n1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.80
CCR5 P51681 5/20 0.80
LRRK2 Q5S007 2/20 0.37
KCNH2 Q12809 4/20 0.37
EPHA2 P29317 1/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
LCK P06239 1/20 0.35
PTK6 Q13882 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35

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
SCHEMBL16257522 1.00 CCR2 (0.80) CCR2CCR5LRRK2KCNH2EPHA2
SCHEMBL16257572 0.91 CCR2 (0.69) CCR2CCR5LRRK2EPHA2KDR
SCHEMBL12180006 0.90 CCR2 (0.79) CCR2CCR5LRRK2KCNH2
SCHEMBL12179993 0.90 CCR2 (0.79) CCR2CCR5LRRK2KCNH2
SCHEMBL15083685 0.89 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL16257573 0.89 CCR2 (0.80) CCR2CCR5KCNH2
SCHEMBL16257521 0.89 CCR2 (0.80) CCR2CCR5KCNH2
SCHEMBL15083681 0.89 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL20976599 0.89 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL16257554 0.89 CCR2 (0.63) CCR2CCR5LRRK2EPHA2KDR

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