SCHEMBL13824277

SCHEMBL13824277

C=C1COc2ccc(SNC)cc2C(=C/CCN2CCC(O)(c3ccc(Cl)cc3)CC2)/C1=C/C=C\C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.40
▸ DRD2 P14416 10/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ HRH1 P35367 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ DRD5 P21918 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ OPRM1 P35372 3/20 0.36
▸ ADRA1A P35348 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ HRH2 P25021 1/20 0.36

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
SCHEMBL12121691 0.94 CCR1 (0.41) CCR1DRD2SLC6A4HRH1DRD3
SCHEMBL14420162 0.87 CCR1 (0.54) CCR1DRD2SLC6A4HRH1DRD3
SCHEMBL12121744 0.85 DRD2 (0.39) CCR1DRD2SLC6A4HRH1DRD3
SCHEMBL13824486 0.85 CCR1 (0.39) CCR1DRD2HRH1OPRM1ADRA1A
SCHEMBL13824271 0.84 CCR1 (0.38) CCR1DRD2SLC6A4HRH1DRD3
SCHEMBL12121740 0.84 CCR1 (0.37) CCR1DRD2OPRM1ADRA1AOPRL1
SCHEMBL13824278 0.83 CCR1 (0.38) CCR1DRD2OPRM1ADRA1AOPRL1
SCHEMBL14579853 0.82 CCR1 (0.37) CCR1DRD2SLC6A4HRH1DRD3
SCHEMBL14420129 0.82 OPRM1 (0.39) CCR1DRD2DRD3OPRM1ADRA1A
SCHEMBL10288264 0.82 CCR3 (0.38) CCR1DRD2DRD3

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
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 — — US disclosed
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