SCHEMBL16257555

SCHEMBL16257555

COc1c(Nc2cccc(C(F)(F)F)c2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.56
EGFR P00533 2/20 0.45
TRPV4 Q9HBA0 1/20 0.43
CACNA1B Q00975 4/20 0.43
CCRL2 O00421 1/20 0.42
BRAF P15056 2/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.39
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
ENPP2 Q13822 1/20 0.39
NR1I2 O75469 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCR5 P51681 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL12180300 0.82 CCR2 (0.52) CCR2EGFRTRPV4CACNA1BCCRL2
SCHEMBL14998868 0.79 CCR2 (0.56) CCR2CCRL2ALDH1A1HPGDCCR5
SCHEMBL12180253 0.78 CCR2 (0.54) CCR2CCRL2KDM4EALDH1A1CCR5
SCHEMBL12184755 0.78 CCR2 (0.85) CCR2CACNA1BCCRL2NR1I2CCR5
SCHEMBL16257547 0.77 CNR2 (0.51) CCR2EGFRCCRL2BRAFPOLB
SCHEMBL12184548 0.77 CCR2 (0.70) CCR2TRPV4CACNA1BCCRL2NR1I2
SCHEMBL10232173 0.76 CCR2 (0.54) CCR2TRPV4CACNA1BCCRL2NR1I2
SCHEMBL10230513 0.76 CCR2 (0.54) CCR2TRPV4CACNA1BCCRL2NR1I2
SCHEMBL16938567 0.76 CCR2 (0.54) CCR2TRPV4CACNA1BCCRL2NR1I2
SCHEMBL18924937 0.76 CCR2 (0.59) CCR2CCRL2CCR5HRH1CCR3

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