Sugi Predict

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SCHEMBL8564558

SCHEMBL8564558

COc1c(N2CC[C@H](C(C)(C)N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.57
▸ POLB P06746 2/20 0.57
▸ CACNA1F O60840 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ CACNA1D Q01668 1/20 0.57
▸ CACNA1S Q13698 1/20 0.57
▸ CACNA1C Q13936 1/20 0.57
▸ GSK3B P49841 8/20 0.53
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ PRKD3 O94806 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ CLK2 P49760 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TOP2A P11388 1/20 0.48
▸ TOP2B Q02880 1/20 0.48

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
SCHEMBL8572213 1.00 KCNH2 (0.57) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8569402 1.00 KCNH2 (0.57) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8571477 0.92 KCNH2 (0.54) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8566705 0.92 KCNH2 (0.54) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8562459 0.92 KCNH2 (0.54) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8566535 0.91 POLB (0.68) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8567010 0.91 POLB (0.68) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8566530 0.91 POLB (0.68) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9372691 0.89 KCNH2 (0.60) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8569407 0.88 KCNH2 (0.44) KCNH2POLBCACNA1FMAPK1CACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559752-B1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1998-01-28 — — EP claimed
EP-0559752-A1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 — — EP claimed
WO-1992009597-A1 OPTICAL ISOMERS OF 7-[3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 — — WO claimed
EP-0559752-B1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1998-01-28 — — EP disclosed
US-5374615-A Treating hypertension and congestive heart failure, preventing cardiac hypertrophy E. R. SQUIBB & SONS, INC. (US) 1994-12-20 — — US disclosed
US-5364861-A Bactericides with side effect reduction WARNER-LAMBERT COMPANY (US) 1994-11-15 — — US disclosed
EP-0559752-A1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 — — EP disclosed
US-5157128-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1992-10-20 — — US disclosed
WO-1992009597-A1 OPTICAL ISOMERS OF 7-[3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 — — WO disclosed
EP-0488532-A1 Indole- and benzimidazole-substituted imidazole and benzimidazole derivatives E.R. Squibb & Sons, Inc. (US) 1992-06-03 — — EP disclosed