SCHEMBL23883153

SCHEMBL23883153

O=C(O)NCCCCNc1ccnc2cc(Cl)ccc12

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.78
▸ NR4A2 P43354 1/20 0.76
▸ FERMT2 Q96AC1 4/20 0.69
▸ CYP1A2 P05177 1/20 0.68
▸ HRH3 Q9Y5N1 6/20 0.60
▸ BACE1 P56817 1/20 0.59
▸ CDK1 P06493 1/20 0.58

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
SCHEMBL12643220 0.87 CCR1 (0.97) CCR1NR4A2FERMT2CYP1A2HRH3
SCHEMBL15481296 0.87 CCR1 (0.97) CCR1NR4A2FERMT2CYP1A2HRH3
SCHEMBL17527057 0.87 CCR1 (0.97) CCR1NR4A2FERMT2CYP1A2HRH3
SCHEMBL12859074 0.86 CCR1 (0.71) CCR1NR4A2FERMT2CYP1A2HRH3
SCHEMBL3647594 0.86 NR4A2 (1.00) CCR1NR4A2FERMT2CYP1A2HRH3
SCHEMBL13608906 0.84 CCR1 (0.68) CCR1NR4A2FERMT2CYP1A2BACE1
SCHEMBL11757988 0.84 CCR1 (0.86) CCR1NR4A2FERMT2CYP1A2HRH3
SCHEMBL19407562 0.84 CCR1 (0.91) CCR1NR4A2FERMT2CYP1A2HRH3
SCHEMBL12871439 0.83 CCR1 (0.67) CCR1NR4A2FERMT2CYP1A2HRH3
SCHEMBL11756506 0.83 CCR1 (0.84) CCR1NR4A2FERMT2CYP1A2HRH3

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
WO-2021202669-A2 NUCLEOSIDE AND NUCLEOTIDE CONJUGATE COMPOUNDS AND USES THEREOF REYOUNG CORPORATION (US) 2021-10-07 — — WO disclosed
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