SCHEMBL8901930

SCHEMBL8901930

CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.74
CCR3 P51677 5/20 0.73
OPRM1 P35372 3/20 0.66
ADRA2A P08913 2/20 0.62
DRD4 P21917 2/20 0.62
HRH2 P25021 2/20 0.62
SLC6A4 P31645 2/20 0.62
ADRA1A P35348 2/20 0.62
KCNH2 Q12809 2/20 0.62
SCN5A Q14524 2/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
HRH1 P35367 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
MEN1 O00255 1/20 0.62
CES2 O00748 1/20 0.62
SLC22A1 O15245 1/20 0.62
USP2 O75604 1/20 0.62
ABCB11 O95342 1/20 0.62
LMNA P02545 1/20 0.62

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
SCHEMBL9107267 0.85 CCR1 (1.00) CCR1CCR3
SCHEMBL6067579 0.85 CCR1 (0.69) CCR1CCR3OPRM1ADRA2ADRD4
SCHEMBL9105318 0.85 OPRM1 (0.87) CCR1CCR3OPRM1ADRA2ADRD4
SCHEMBL8891231 0.85 CCR1 (1.00) CCR1CCR3OPRM1
Berlex Compound SCHEMBL8891715 0.83 CCR1 (1.00) CCR1CCR3
Berlex Compound SCHEMBL29401934 0.82 CCR1 (0.98) CCR1CCR3
SCHEMBL8986084 0.82 CCR1 (0.68) CCR1CCR3OPRM1
SCHEMBL9105079 0.82 CCR1 (1.00) CCR1CCR3
SCHEMBL9108706 0.81 CCR1 (1.00) CCR1CCR3
SCHEMBL8986035 0.81 CCR1 (0.67) CCR1CCR3OPRM1SLC6A4HRH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997024325-A1 DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed