Methane

Methane

SCHEMBL28035176

C.OCc1ccccc1-c1ccccn1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
CBFB Q13951 2/20 0.46
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 3/20 0.42
ALOX15 P16050 3/20 0.42
HTT P42858 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
Methane SCHEMBL28337075 0.98 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL477370 0.98 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2490120 0.87 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL10358887 0.83 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11066304 0.82 PDCD1 (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL24888335 0.82 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21666537 0.82 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL10358913 0.81 CBFB (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29065472 0.79 TYRO3 (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4600282 0.78 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8

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
CN-110498764-A A kind of synthetic method of doxylamine succinate SHENZHEN ORIENTAL PHARMACEUTICAL CO LTD 2019-11-26 CN claimed
CN-105237467-A Preparation method of doxylamine succinate NANJING GRITPHARMA CO LTD 2016-01-13 CN claimed
CN-105001149-A Method for preparing 2-pyridinemethanol-alpha-methyl-alpha-phenyl serving as intermediate of doxylamine succinate NANJING JIQUN MEDICINE SCIENCE & TECHNOLOGY CO LTD 2015-10-28 CN claimed
CN-110498764-A A kind of synthetic method of doxylamine succinate SHENZHEN ORIENTAL PHARMACEUTICAL CO LTD 2019-11-26 CN disclosed
CN-110498764-A A kind of synthetic method of doxylamine succinate SHENZHEN ORIENTAL PHARMACEUTICAL CO LTD 2019-11-26 CN disclosed
CN-106083699-B A kind of preparation method of doxylamine impurity G 合肥创新医药技术有限公司 2019-02-19 CN disclosed
CN-107056685-A Method for synthesizing doxylamine succinate 珠海市海瑞德生物科技有限公司 2017-08-18 CN disclosed
CN-106083699-A A kind of preparation method of doxylamine impurity G 合肥创新医药技术有限公司 2016-11-09 CN disclosed
CN-105237467-A Preparation method of doxylamine succinate NANJING GRITPHARMA CO LTD 2016-01-13 CN disclosed
CN-105218433-A A kind of doxylamine succinate new crystal and its preparation method and application NANJING GRITPHARMA CO LTD 2016-01-06 CN disclosed
CN-105001149-A Method for preparing 2-pyridinemethanol-alpha-methyl-alpha-phenyl serving as intermediate of doxylamine succinate NANJING JIQUN MEDICINE SCIENCE & TECHNOLOGY CO LTD 2015-10-28 CN disclosed