SCHEMBL29954559

SCHEMBL29954559

O=Cc1nccc2oncc12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34

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
SCHEMBL29935606 0.74 HTR2C (0.40) CCR1CCR5CCR8
SCHEMBL17537339 0.72 CYP2A6 (0.45) CCR1CCR5CCR8
SCHEMBL3543229 0.69
SCHEMBL18238719 0.68 PDE3B (0.40)
SCHEMBL2008313 0.67 CYP2A6 (0.41) CCR1CCR5CCR8
SCHEMBL2013046 0.65 ERN1 (0.50) CCR1CCR5CCR8
SCHEMBL29954048 0.64 NOS1 (0.39) CCR1CCR5CCR8
SCHEMBL6697638 0.64 CCR1 (0.33) CCR1CCR5CCR8
SCHEMBL29935728 0.64 EGFR (0.34) CCR1CCR5CCR8
SCHEMBL194555 0.64 PLAU (0.50)

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed