SCHEMBL23904665

SCHEMBL23904665

CC(C)(C)OC(=O)NCCCCNc1ccnc2cc(Cl)ccc12

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.66
▸ NR4A2 P43354 1/20 0.62
▸ FERMT2 Q96AC1 4/20 0.60
▸ CYP1A2 P05177 1/20 0.58
▸ CDK1 P06493 1/20 0.54
▸ HRH3 Q9Y5N1 2/20 0.53
▸ BACE1 P56817 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52

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
SCHEMBL17527064 0.93 CDK1 (0.61) CCR1NR4A2FERMT2CYP1A2CDK1
SCHEMBL17527085 0.92 CDK1 (0.62) CCR1NR4A2FERMT2CYP1A2CDK1
SCHEMBL19399297 0.89 CDK1 (0.60) CCR1NR4A2FERMT2CYP1A2CDK1
SCHEMBL23340186 0.88 FERMT2 (0.56) CCR1NR4A2FERMT2CYP1A2CDK1
SCHEMBL16596384 0.84 HTR1A (0.61) FERMT2HRH3
SCHEMBL22735631 0.84 FERMT2 (0.52) CCR1NR4A2FERMT2CYP1A2CDK1
SCHEMBL23883153 0.83 CCR1 (0.78) CCR1NR4A2FERMT2CYP1A2CDK1
SCHEMBL16596345 0.82 HTR1A (0.58) FERMT2HRH3
SCHEMBL12859074 0.82 CCR1 (0.71) CCR1NR4A2FERMT2CYP1A2CDK1
SCHEMBL2443305 0.81 ANPEP (0.63) 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
WO-2021202669-A2 NUCLEOSIDE AND NUCLEOTIDE CONJUGATE COMPOUNDS AND USES THEREOF REYOUNG CORPORATION (US) 2021-10-07 — — WO disclosed
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