SCHEMBL18633703

SCHEMBL18633703

CC(C)(O)c1ccc2c(c1)C(=C/CN1CCCC1)/C(=C/C1CN1)CCO2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ HRH1 P35367 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
SCHEMBL15478382 0.81 HRH1 (0.34) CCR1HRH1
SCHEMBL18895974 0.72 CCR1 (0.38) CCR1TBXA2RHRH1
SCHEMBL13824505 0.72 CCR1 (0.32) CCR1TBXA2RHRH1
SCHEMBL18633704 0.71 CCR1 (0.34) CCR1HRH3TBXA2RHRH1
SCHEMBL18896008 0.69 HRH3 (0.31) HRH3
SCHEMBL16312650 0.67 CCR1 (0.33) CCR1
SCHEMBL18633827 0.64 CCR1 (0.39) CCR1HRH3HRH1
SCHEMBL14420021 0.63 CCR1 (0.43) CCR1HRH3HRH1
SCHEMBL16312668 0.62 CCR1 (0.39) CCR1HRH3HRH1
SCHEMBL14579593 0.62 TBXA2R (0.31) CCR1TBXA2RHRH1

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
EP-1688418-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2017-03-15 — — EP disclosed
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