SCHEMBL9700875

SCHEMBL9700875

Cc1cn(-c2ccc3c(c2)COC(=O)N3)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSD11B1 P28845 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
GRIA1 P42261 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
CRBN Q96SW2 4/20 0.32
NR3C1 P04150 2/20 0.32
NR3C2 P08235 2/20 0.32
CPT2 P23786 2/20 0.32

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
SCHEMBL9700782 0.86 PDE3B (0.46) CYP11B1CYP11B2KCNH2ALDH1A1LMNA
SCHEMBL9700774 0.80 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL9724606 0.80 CYP11B1 (0.45) CYP11B1CYP11B2ALDH1A1PDE3BPDE3A
SCHEMBL7347474 0.80 CRBN (0.51) CYP11B1CYP11B2KCNH2ALDH1A1PDE3B
SCHEMBL9699737 0.79 PSEN1 (0.44) CYP11B1CYP11B2PDE3BPDE3ACRBN
SCHEMBL9700738 0.78 HSD11B1 (0.34) HSD11B1PDE3BPDE3ACRBNNR3C1
SCHEMBL9700747 0.73 CYP11B2 (0.41) CYP11B1CYP11B2KCNH2ALDH1A1LMNA
SCHEMBL9701071 0.72 HSD11B1 (0.34) ALDH1A1HSD11B1NR3C1NR3C2CYP3A4
SCHEMBL434348 0.72 CYP11B1 (0.51) CYP11B1CYP11B2KCNH2ALDH1A1PDE3B
SCHEMBL9699782 0.71 FGFR1 (0.47) CYP11B1CYP11B2PDE3BPDE3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171851-A Cardiac stimulant DONG-A PHARM. CO., LTD. (KR) 1992-12-15 US claimed
EP-0510235-A1 Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same DONG-A PHARM. CO., LTD. (KR) 1992-10-28 EP claimed
US-5171851-A Cardiac stimulant DONG-A PHARM. CO., LTD. (KR) 1992-12-15 US disclosed
EP-0510235-A1 Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same DONG-A PHARM. CO., LTD. (KR) 1992-10-28 EP disclosed