SCHEMBL16257550

SCHEMBL16257550

COc1nc(Nc2cccc(C(F)(F)F)c2)c(C)c(C(=O)N2CCC(NC3CCOCC3F)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.52
CCR5 P51681 11/20 0.52
CNR2 P34972 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 2/20 0.38
EGFR P00533 1/20 0.38
IDH2 P48735 1/20 0.37

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
SCHEMBL16257560 0.92 CCR2 (0.62) CCR2CCR5
SCHEMBL16257553 0.92 CCR2 (0.62) CCR2CCR5
SCHEMBL16257525 0.90 CCR2 (0.48) CCR2CCR5CNR2UBE2MDCUN1D1
SCHEMBL16257556 0.89 CCR2 (0.61) CCR2CCR5CNR2EPHX2
SCHEMBL16257524 0.89 CCR2 (0.61) CCR2CCR5CNR2EPHX2
SCHEMBL16257572 0.86 CCR2 (0.69) CCR2CCR5EGFR
SCHEMBL16257552 0.83 CCR2 (0.61) CCR2CCR5
SCHEMBL16257526 0.83 CCR2 (0.61) CCR2CCR5
SCHEMBL12180206 0.81 CCR2 (0.74) CCR2CCR5EGFR
SCHEMBL16257543 0.81 CCR2 (0.74) CCR2CCR5EGFR

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