SCHEMBL13824486

SCHEMBL13824486

C=C(O)/C=C(\C)c1ccc2c(c1)C(=C/CCN1CCC(O)(c3ccc(Cl)cc3)CC1)/C(=C/C=C\C)C(=C)CO2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.39
▸ CHRM2 P08172 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ DRD2 P14416 6/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL12121744 0.91 DRD2 (0.39) CCR1CHRM2CCR5DRD2ADRA1A
SCHEMBL13824278 0.87 CCR1 (0.38) CCR1CHRM2CCR5DRD2ADRA1A
SCHEMBL13824271 0.87 CCR1 (0.38) CCR1CHRM2CCR5DRD2ADRA1A
SCHEMBL14579853 0.86 CCR1 (0.37) CCR1CHRM2CCR5DRD2ADRA1A
SCHEMBL12121691 0.86 CCR1 (0.41) CCR1DRD2ADRA1AOPRM1OPRL1
SCHEMBL14420162 0.85 CCR1 (0.54) CCR1CHRM2DRD2ADRA1AOPRM1
SCHEMBL13824277 0.85 CCR1 (0.40) CCR1DRD2ADRA1AOPRM1OPRL1
SCHEMBL10287597 0.84 CCR1 (0.36) CCR1CHRM2CCR5DRD2ADRA1A
SCHEMBL14420129 0.82 OPRM1 (0.39) CCR1DRD2ADRA1AOPRM1OPRL1
SCHEMBL15357305 0.81 CCR1 (0.52) CCR1CHRM2CCR5HRH1

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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