SCHEMBL27741091

SCHEMBL27741091

CC(CCC(=O)O)N1CCC[C@@H](OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ AGTR2 P50052 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BCHE P06276 4/20 0.40
▸ TMEM97 Q5BJF2 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ MAOB P27338 1/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ PRMT8 Q9NR22 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ FFAR4 Q5NUL3 3/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39

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
SCHEMBL4789433 0.76 CHRNB2 (0.53) ALDH1A1LMNAMAPK1BCHETMEM97
SCHEMBL11175416 0.75 MAPK1 (0.48) CHRM2CHRM1CHRM3ALDH1A1LMNA
SCHEMBL29117236 0.75 CTSL (0.49) CHRM2CHRM1CHRM3AGTR2ALDH1A1
SCHEMBL29117240 0.75 CTSL (0.49) CHRM2CHRM1CHRM3AGTR2ALDH1A1
SCHEMBL27741092 0.74 DRD2 (0.50) CHRM2CHRM1CHRM3ALDH1A1LMNA
SCHEMBL18615751 0.74 HRH3 (0.51) AGTR2TMEM97SIGMAR1CARM1PRMT6
SCHEMBL21779383 0.74 HRH3 (0.51) AGTR2TMEM97SIGMAR1CARM1PRMT6
SCHEMBL8691838 0.74 BCHE (0.40) CHRM2CHRM1CHRM3AGTR2ALDH1A1
SCHEMBL6099133 0.73 CHRM2 (0.39) CHRM2CHRM1CHRM3AGTR2ALDH1A1
SCHEMBL14047773 0.73 CHRM2 (0.71) CHRM2CHRM1CHRM3ALDH1A1LMNA

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
CN-101384602-A Novel, cyclic substituted furopyrimidine derivatives and use thereof for treating cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-03-11 — — CN disclosed
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