SCHEMBL18633705

SCHEMBL18633705

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CC[C@@H](OCc3ccc(N)cc3)C1)C1=CC=CNC1CO2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.33
▸ CARM1 Q86X55 2/20 0.31
▸ PRMT6 Q96LA8 2/20 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
SCHEMBL13824447 0.93 CCR1 (0.39) CCR1CARM1PRMT6
SCHEMBL18896010 0.93 CCR1 (0.39) CCR1CARM1PRMT6
SCHEMBL18633827 0.82 CCR1 (0.39) CCR1
SCHEMBL13824459 0.81 CCR1 (0.40) CCR1
SCHEMBL13617089 0.77 TBXA2R (0.31) CCR1
SCHEMBL14579593 0.77 TBXA2R (0.31) CCR1
SCHEMBL18633820 0.77 CCR1 (0.37) CCR1
SCHEMBL18633836 0.76 CCR1 (0.33) CCR1
SCHEMBL14420045 0.76 CCR1 (0.40) CCR1
SCHEMBL18896011 0.76 CCR1 (0.37) 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
EP-1688418-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2017-03-15 — — EP disclosed
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