SCHEMBL1855545

SCHEMBL1855545

N[C@@H]1CN(c2c(F)cc3c(=O)c(OC(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 4/20 0.33
TOP1 P11387 4/20 0.32
TOP2A P11388 9/20 0.32
TOP2B Q02880 7/20 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
SCHEMBL9523724 0.90 ALDH1A1 (0.56) POLBALDH1A1CHRM2CHRM1OPRM1
Sitafloxacin Anhydrous SCHEMBL29821427 0.89 ALDH1A1 (0.59) POLBALDH1A1CHRM2CHRM1OPRM1
Sitafloxacin Anhydrous SCHEMBL8509346 0.89 ALDH1A1 (0.59) POLBALDH1A1CHRM2CHRM1OPRM1
Sitafloxacin Anhydrous SCHEMBL3198924 0.89 ALDH1A1 (0.59) POLBALDH1A1CHRM2CHRM1OPRM1
Sitafloxacin Anhydrous SCHEMBL13483604 0.89 ALDH1A1 (0.59) POLBALDH1A1CHRM2CHRM1OPRM1
Sitafloxacin Anhydrous SCHEMBL74553 0.89 ALDH1A1 (0.59) POLBALDH1A1CHRM2CHRM1OPRM1
Sitafloxacin Anhydrous SCHEMBL1652843 0.89 ALDH1A1 (0.59) POLBALDH1A1CHRM2CHRM1OPRM1
Sitafloxacin Anhydrous SCHEMBL29368438 0.89 ALDH1A1 (0.59) POLBALDH1A1CHRM2CHRM1OPRM1
Sitafloxacin Anhydrous SCHEMBL21416358 0.89 ALDH1A1 (0.59) POLBALDH1A1CHRM2CHRM1OPRM1
Sitafloxacin Anhydrous SCHEMBL2784482 0.89 ALDH1A1 (0.59) POLBALDH1A1CHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408034-B2 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents BAYER INNOVATION GMBH (DE) 2011-05-25 EP claimed
EP-1408034-B1 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents SCHULZ & SCHLIMBACH GBR (DE) 2007-08-08 EP claimed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP claimed
EP-1408034-B2 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents BAYER INNOVATION GMBH (DE) 2011-05-25 EP disclosed
EP-1408034-B1 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents SCHULZ & SCHLIMBACH GBR (DE) 2007-08-08 EP disclosed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP disclosed
EP-1244434-A2 USE OF CHEMOTHERAPEUTIC AGENTS Schulz, Hans-Herrmann (DE) 2002-10-02 EP disclosed
WO-2001045679-A2 USE OF CHEMOTHERAPEUTIC AGENTS FOR TOPICAL TREATMENT SCHULZ HANS HERRMANN (DE) 2001-06-28 WO disclosed