SCHEMBL29933676

SCHEMBL29933676

N#Cc1ccc(Oc2ccc3c(c2)COC3=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 4/20 0.59
KCNJ1 P48048 1/20 0.54
KCNH2 Q12809 1/20 0.54
PDE4B Q07343 3/20 0.51
PDE4A P27815 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
CHRM1 P11229 1/20 0.51
ADRA1A P35348 1/20 0.51
PDE1A P54750 1/20 0.51
PDE3B Q13370 1/20 0.51
PDE7A Q13946 1/20 0.51
PDE3A Q14432 1/20 0.51
MAOA P21397 7/20 0.50
MAOB P27338 7/20 0.50
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL28914301 1.00 PRF1 (0.59) PRF1KCNJ1KCNH2PDE4BPDE4A
SCHEMBL15268421 0.83 MAOA (0.64) PRF1PDE4BPDE4APDE4CPDE4D
SCHEMBL30123554 0.83 MAOA (0.64) PRF1PDE4BPDE4APDE4CPDE4D
SCHEMBL29366960 0.83 PRF1 (0.65) PRF1KCNJ1KCNH2MAOAMAOB
SCHEMBL1641 0.83 PRF1 (0.65) PRF1KCNJ1KCNH2MAOAMAOB
SCHEMBL21662902 0.78 MAOA (0.54) PRF1KCNJ1KCNH2MAOAMAOB
SCHEMBL385683 0.77 MAOB (0.59) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL23929409 0.76 MAOA (0.56) PRF1PDE4BPDE4APDE4CPDE4D
SCHEMBL26124650 0.76 PRF1 (0.60) PRF1MAOAMAOBMAPTLMNA
Tetrahydrofuran SCHEMBL22089885 0.75 PRF1 (0.56) PRF1KCNJ1KCNH2MAOAMAOB

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-112724167-B Preparation method of clitorium 湖北恒安芙林药业股份有限公司 2022-11-11 CN disclosed