SCHEMBL8433462

SCHEMBL8433462

CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CC1=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
POLB P06746 2/20 0.65
OPRM1 P35372 2/20 0.65
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
OPRD1 P41143 1/20 0.65
KCNH2 Q12809 6/20 0.53
KDM4E B2RXH2 4/20 0.52
HPGD P15428 3/20 0.52
LMNA P02545 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 1/20 0.52
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
CLK2 P49760 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TOP2A P11388 3/20 0.47
TOP2B Q02880 3/20 0.47

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
SCHEMBL10841636 0.92 KCNH2 (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9635060 0.89 ALDH1A1 (0.51) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL11017189 0.88 KCNH2 (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL312188 0.87 ALDH1A1 (0.69) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL312998 0.84 ALDH1A1 (0.72) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10695481 0.84 ALDH1A1 (0.70) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL14471355 0.83 ALDH1A1 (0.76) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10695310 0.82 ALDH1A1 (0.70) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8434199 0.82 ALDH1A1 (0.75) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL17975775 0.82 ALDH1A1 (0.75) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5969141-A Intermediates for 7-amino-1-cyclopropyl-6,8-dihalogeno-1,4-dihydro-4-oxo-3-quinolinecarbox ylic acid antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed
US-5777181-A 2, 4, 5-trihalogeno- and 2, 3, 4, 5-tetrahalogenobenzene derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5571812-A TREATMENT OF INFECTIONS OF GRAMNEGATIVE AND GRAMPOSITIVE BACTERIA BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
US-5565614-A FLUORINATION BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed
US-5530158-A CHEMICAL INTERMEDIATE FOR ANTIBACTERIALS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
US-5468861-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
US-5362909-A Two stage fluorination BAYER AKTIENGESELLSCHAFT (DE) 1994-11-08 US disclosed
US-5200548-A Intermediates for bactericides BAYER AKTIENGESELLSCHAFT (DE) 1993-04-06 US disclosed
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
US-5072038-A Chemical intermediates for bactericides BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
US-5023257-A Related to ciprofloxacin, in the form of oily suspension; bacterial infections BAYER AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed
CN-1007977-B PROCESS FOR THE PREPARATION OF 7-AMINO-1-CYCLOPXOPYL-6, 8-DIHALOGENO-1, 4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACIDS BAYER AG (DE) 1990-05-16 CN disclosed
CN-1037272-A The intramuscular injection agent of gyrase inhibitor BAYER AG (DE) 1989-11-22 CN 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