SCHEMBL5784994

SCHEMBL5784994

CC(CN)CCN1CCC(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.48
FPR2 P25090 1/20 0.46
PROKR1 Q8TCW9 1/20 0.46
SIGMAR1 Q99720 9/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
PRMT3 O60678 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT1 Q99873 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
HTR7 P34969 2/20 0.42
CCR5 P51681 1/20 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
SCHEMBL7872233 1.00 CCR3 (0.48) CCR3FPR2PROKR1SIGMAR1CYP1A2
SCHEMBL24069004 0.83 PRMT3 (0.61) CCR3FPR2PROKR1SIGMAR1CYP1A2
SCHEMBL5781019 0.82 SIGMAR1 (0.56) CCR3SIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL4960083 0.78 CCR3 (0.53) CCR3FPR2PROKR1
SCHEMBL5743381 0.78 CCR3 (0.53) CCR3FPR2PROKR1
SCHEMBL4959466 0.78 CCR3 (0.57) CCR3FPR2PROKR1SIGMAR1
SCHEMBL4959461 0.78 CCR3 (0.57) CCR3FPR2PROKR1SIGMAR1
SCHEMBL5744458 0.78 CCR3 (0.57) CCR3FPR2PROKR1SIGMAR1
SCHEMBL5784473 0.77 PRMT6 (0.43) CCR3CARM1PRMT6CCR5
SCHEMBL7514185 0.77 HRH1 (0.52) CCR3FPR2PROKR1

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
EP-1680408-A2 CCR3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 EP disclosed
WO-2005040129-A2 CCR3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed