SCHEMBL18896008

SCHEMBL18896008

CC(C)(O)c1ccc2c(c1)/C(=C/CN1CCCC1)C(CCCN)CCO2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 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
SCHEMBL18633704 0.69 CCR1 (0.34) HRH3
SCHEMBL18633703 0.69 CCR1 (0.32) HRH3
SCHEMBL15478382 0.67 HRH1 (0.34) —
SCHEMBL13824505 0.65 CCR1 (0.32) —
SCHEMBL18895974 0.63 CCR1 (0.38) —
SCHEMBL13824458 0.61 CCR1 (0.37) HRH3
SCHEMBL16312650 0.59 CCR1 (0.33) —
SCHEMBL16312668 0.59 CCR1 (0.39) HRH3
SCHEMBL18633827 0.58 CCR1 (0.39) HRH3
SCHEMBL18633833 0.57 CCR1 (0.42) HRH3

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-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
Send feedback