SCHEMBL9634817

SCHEMBL9634817

CC(C)N1CCN(c2c(Cl)cc3c(=O)c(OC(=O)O)cn(C4CC4)c3c2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
OPRM1 P35372 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRD1 P41143 1/20 0.40
TOP2A P11388 6/20 0.38
TOP2B Q02880 6/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 2/20 0.38
PRKD3 O94806 1/20 0.38
ALOX15 P16050 1/20 0.38
CLK2 P49760 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
ADRA2B P18089 1/20 0.34

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
Iodide SCHEMBL10807688 0.90 KCNH2 (0.46) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9671115 0.88 ALDH1A1 (0.46) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10648280 0.88 LMNA (0.44) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8437440 0.88 ALDH1A1 (0.52) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10647453 0.87 ALDH1A1 (0.40) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10646491 0.87 ALDH1A1 (0.47) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10509964 0.87 TOP2A (0.44) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9636218 0.87 ALDH1A1 (0.41) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9635148 0.87 ALDH1A1 (0.41) KCNH2ALDH1A1POLBOPRM1CHRM2
Hydrochloric Acid SCHEMBL10648929 0.85 ALDH1A1 (0.37) KCNH2ALDH1A1POLBOPRM1CHRM2

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-0337231-B1 I. M. INJECTION FORMS OF GYRASE-INHIBITORS BAYER AG (DE) 1992-06-17 EP disclosed
EP-0274033-B1 PROCESS FOR THE PREPARATION OF QUINOLINECARBOXYLIC ACIDS BAYER AG (DE) 1992-03-11 EP disclosed
EP-0337231-A2 I. M. injection forms of gyrase-inhibitors BAYER AG (DE) 1989-10-18 EP disclosed
EP-0164619-B1 2,4,5-TRIHALO OR 2,3,4,5-TETRAHALO BENZENE DERIVATIVES AND PROCESS FOR PRODUCING THEM BAYER AG (DE) 1988-10-12 EP disclosed
EP-0167763-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIHALO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND BACTERICIDAL AGENTS CONTAINING THEM BAYER AG (DE) 1988-08-03 EP disclosed
EP-0274033-A1 Process for the preparation of quinolinecarboxylic acids BAYER AG (DE) 1988-07-13 EP disclosed
EP-0167763-A1 7-Amino-1-cyclopropyl-6,8-dihalo-1,4-dihydro-4-oxo-3-quinoline-carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-01-15 EP disclosed
EP-0164619-A1 2,4,5-Trihalo or 2,3,4,5-tetrahalo benzene derivatives and process for producing them BAYER AG (DE) 1985-12-18 EP disclosed