SCHEMBL29622977

SCHEMBL29622977

CC1CCc2c(ccc(F)c2F)N1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL9598979 1.00 AR (0.31) ARCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9654110 0.84 AR (0.31) AR
SCHEMBL11172350 0.83 HTR2C (0.40) AR
Hydrochloric Acid SCHEMBL10596804 0.83 AR (0.30) AR
SCHEMBL11169777 0.83 HTR1D (0.40) AR
SCHEMBL31170704 0.83 HTR2C (0.40) AR
SCHEMBL10841291 0.83 AR (0.30) AR
SCHEMBL14826475 0.82 ALDH1A1 (0.35) AR
SCHEMBL9035367 0.81 BRD4 (0.37) ARCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9582630 0.81 BRD4 (0.37) ARCHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114890945-B Method for synthesizing nadifloxacin intermediate 大连万福制药有限公司 2023-09-05 CN claimed
CN-114890945-A Method for synthesizing nadifloxacin intermediate 大连万福制药有限公司 2022-08-12 CN claimed
CN-114436956-A Preparation method and detection method of 5, 6-difluoro-2-methyl-1, 2,3, 4-tetrahydroquinoline 山东诚汇双达药业有限公司 2022-05-06 CN claimed
CN-113527358-B Synthesis process of S- (-) -nadifloxacin chiral intermediate 湖南中威制药有限公司 2023-09-05 CN disclosed
CN-114890945-B Method for synthesizing nadifloxacin intermediate 大连万福制药有限公司 2023-09-05 CN disclosed
CN-114890945-A Method for synthesizing nadifloxacin intermediate 大连万福制药有限公司 2022-08-12 CN disclosed
CN-114436956-A Preparation method and detection method of 5, 6-difluoro-2-methyl-1, 2,3, 4-tetrahydroquinoline 山东诚汇双达药业有限公司 2022-05-06 CN disclosed
CN-114436956-A Preparation method and detection method of 5, 6-difluoro-2-methyl-1, 2,3, 4-tetrahydroquinoline 山东诚汇双达药业有限公司 2022-05-06 CN disclosed
CN-114436956-A Preparation method and detection method of 5, 6-difluoro-2-methyl-1, 2,3, 4-tetrahydroquinoline 山东诚汇双达药业有限公司 2022-05-06 CN disclosed