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SCHEMBL8564954

SCHEMBL8564954

CC(C)(N)[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.66
▸ KDM4E B2RXH2 4/20 0.66
▸ LMNA P02545 3/20 0.65
▸ HPGD P15428 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ TOP2A P11388 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ TOP2B Q02880 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ PIK3CG P48736 7/20 0.54
▸ PIK3CD O00329 5/20 0.54
▸ PIK3R1 P27986 5/20 0.54
▸ PIK3CA P42336 5/20 0.54
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ CHRM2 P08172 1/20 0.51

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
SCHEMBL8564955 1.00 ALDH1A1 (0.66) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8568350 0.89 KDM4E (0.64) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8565272 0.89 KDM4E (0.64) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8568169 0.88 KDM4E (0.51) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL5571931 0.85 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL5571992 0.85 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL5571927 0.85 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8565922 0.84 KDM4E (0.60) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8565928 0.84 KDM4E (0.60) ALDH1A1KDM4ELMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL8566915 0.84 ALDH1A1 (0.70) ALDH1A1KDM4ELMNAHPGDHSD17B10

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 11 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
US-5364861-A Bactericides with side effect reduction WARNER-LAMBERT COMPANY (US) 1994-11-15 — — US 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-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
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
US-5072001-A Bactericides WARNER-LAMBERT COMPANY (US) 1991-12-10 — — US disclosed