SCHEMBL13824503

SCHEMBL13824503

C=C1COc2ccc(C(C)(C)O)cc2C(=C/CCN)/C1=C/C=C\N

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.35
▸ PARP1 P09874 1/20 0.33
▸ HRH1 P35367 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL14579592 0.79 CCR1 (0.35) CCR1PARP1
SCHEMBL16312650 0.73 CCR1 (0.33) CCR1
SCHEMBL14579805 0.73 CCR1 (0.59) CCR1PARP1HRH1LMNA
SCHEMBL14420192 0.67 CCR1 (0.32) CCR1
SCHEMBL436923 0.63 CCR1 (0.59) CCR1PARP1HRH1LMNA
SCHEMBL436922 0.63 CCR1 (0.59) CCR1PARP1HRH1LMNA
SCHEMBL18633833 0.62 CCR1 (0.42) CCR1HRH1LMNA
SCHEMBL18895974 0.59 CCR1 (0.38) CCR1HRH1LMNA
SCHEMBL9375176 0.58 TBXA2R (0.64) HRH1
SCHEMBL6859760 0.57 CCR1 (0.34) CCR1

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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