SCHEMBL28296390

SCHEMBL28296390

Fc1cc2c(nc1N1CCNCC1)N(C1CC1)CCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.38
HRH3 Q9Y5N1 3/20 0.36
KCNH2 Q12809 3/20 0.36
HTR2C P28335 8/20 0.35
HTR2A P28223 4/20 0.35
HTR2B P41595 7/20 0.35
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
ATP6V1B2 P21281 1/20 0.34
TBXA2R P21731 1/20 0.34
EDNRA P25101 1/20 0.34
TARBP2 Q15633 1/20 0.34
CASP1 P29466 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 1/20 0.33

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
SCHEMBL28776444 0.78 CYP2C9 (0.37) HRH4KCNH2LMNACYP2C9ATP6V1B2
SCHEMBL29353387 0.77 LMNA (0.43) HRH4HRH3KCNH2HTR2CHTR2A
SCHEMBL28873005 0.76 MAPT (0.44) HTR2CHTR2AHTR2BLMNACYP2C9
SCHEMBL30059715 0.75 HTR2C (0.54) HRH4KCNH2HTR2CHTR2ALMNA
SCHEMBL2421661 0.68 HRH4 (0.45) HRH4HRH3KCNH2LMNACYP2C9
SCHEMBL30059728 0.64 MAPT (0.50) HTR2CHTR2AHTR2BLMNA
SCHEMBL6225002 0.62 HTR6 (0.54) KCNH2HTR2CHTR2AHTR2B
SCHEMBL24053385 0.61 LMNA (0.38) HRH4KCNH2HTR2CLMNACYP2C9
SCHEMBL2422635 0.60 EPHX2 (0.41) KCNH2HTR2C
SCHEMBL5871769 0.60 HTR2C (0.58) KCNH2HTR2CHTR2AHTR2B

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-109776411-A Mustargen Carbostyril derivative and its preparation method and application 石家庄学院 2019-05-21 CN disclosed