SCHEMBL13824491

SCHEMBL13824491

O=CCc1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccc(Cl)cc3)CC1)C1C=CC=NC1CO2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.38
▸ DRD3 P35462 3/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ CCR3 P51677 2/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ CCR1 P32246 5/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ DRD4 P21917 2/20 0.34

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
SCHEMBL13824256 0.94 DRD2 (0.37) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL10287605 0.92 DRD2 (0.41) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL13617507 0.91 DRD2 (0.42) DRD2DRD3ADRA1ACCR1OPRL1
SCHEMBL13616961 0.89 DRD2 (0.36) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL13824482 0.88 DRD2 (0.40) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL10288236 0.87 ALDH1A1 (0.41) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL12121715 0.85 CCR1 (0.37) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL13617080 0.85 DRD2 (0.36) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL13617506 0.85 DRD2 (0.38) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL13824223 0.85 DRD2 (0.38) DRD2DRD3HTR1ADRD1SLC6A2

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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