SCHEMBL8567571

SCHEMBL8567571

CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
OPRM1 P35372 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
OPRD1 P41143 1/20 0.53
KCNH2 Q12809 6/20 0.53
KDM4E B2RXH2 7/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 2/20 0.52
PRKD3 O94806 1/20 0.52
ALOX15 P16050 1/20 0.52
CLK2 P49760 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.49
TOP2A P11388 4/20 0.47
TOP2B Q02880 4/20 0.47
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8567580 1.00 ALDH1A1 (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8571171 0.93 ALDH1A1 (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8571162 0.93 ALDH1A1 (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8573297 0.93 ALDH1A1 (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8570455 0.92 KCNH2 (0.65) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9428795 0.92 KCNH2 (0.65) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8571650 0.92 KCNH2 (0.65) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8566001 0.90 KCNH2 (0.56) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9388005 0.87 ALDH1A1 (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9158589 0.87 ALDH1A1 (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1

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 7 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 disclosed
US-5364861-A Bactericides with side effect reduction WARNER-LAMBERT COMPANY (US) 1994-11-15 US disclosed
US-5278317-A Aminomethylpyrrole WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed
US-5275816-A Cephalosporin derivatives BEECHAM GROUP P.L.C. (GB) 1994-01-04 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