SCHEMBL27892139

SCHEMBL27892139

c1ccc(CCCc2c[nH]nn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
IDO1 P14902 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
MAOA P21397 1/20 0.39
DAO P14920 1/20 0.39
DHFR P00374 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAOB P27338 1/20 0.38
KCNH2 Q12809 1/20 0.38
CES1 P23141 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL28221103 0.98 HTR2A (0.41) HTR2ANOS3NOS1NOS2IDO1
SCHEMBL29869051 0.98 HTR2A (0.41) HTR2ANOS3NOS1NOS2IDO1
Nitrous Acid SCHEMBL28299073 0.89 HDAC8 (0.38) HTR2ANOS3NOS1NOS2IDO1
SCHEMBL2643655 0.89 KCNH2 (0.50) HTR2ANOS1MAOADAOMAOB
Octadecylamine SCHEMBL28224460 0.84 MAOA (0.46) HTR2ANOS3NOS1NOS2MAOA
SCHEMBL28749335 0.83 LTA4H (0.56) SIGMAR1
SCHEMBL5048432 0.79 ESR1 (0.46)
Benzene SCHEMBL27499662 0.79 ALDH1A1 (0.46) HRH3MAOB
SCHEMBL29272 0.79 ALDH1A1 (0.46) HRH3MAOB
SCHEMBL28396262 0.78 L3MBTL1 (0.34) KCNH2

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 334 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406401-B Phenylpropiotriazole-driven graphene oxide coated microcapsule, and preparation and application thereof 常熟耐素生物材料科技有限公司 2024-11-05 CN claimed
CN-118406401-A Phenylpropiotriazole-driven graphene oxide coated microcapsule, and preparation and application thereof 常熟耐素生物材料科技有限公司 2024-07-30 CN claimed
CN-114232064-B Aluminum alloy metal material 曲靖市万东铝业有限责任公司 2024-06-28 CN claimed
CN-117369164-A Processing method of optical lens 南京宝一光学有限公司 2024-01-09 CN claimed
CN-114916546-A Disinfectant liquid 广东健净生物科技有限责任公司 2022-08-19 CN claimed
CN-110499512-A One kind being applicable in environmentally friendly gaseous recombination corrosion inhibitor of more metals and preparation method thereof WANG ERPO 2019-11-26 CN claimed
CN-110408439-A A kind of carbinol-modified fuel reducing vehicle exhaust HENAN BAIYANG NEW ENERGY CO LTD 2019-11-05 CN claimed
CN-107858713-B A kind of device and method preparing expanded graphite electro-coppering 中国科学院山西煤炭化学研究所 2019-11-05 CN claimed
CN-107502333-B A kind of quinoline and the compound acidification corrosion inhibitor of novel Mannich base 中国石油集团渤海钻探工程有限公司 2019-10-22 CN claimed
CN-106219799-B Industrial wastewater open and close type recirculated water comprehensive processing zero discharge system and application method 山东青洁能环保有限公司 2019-10-15 CN claimed
CN-108127342-A A kind of preparation process of high-precision copper and copper alloy cut deal 中铝洛阳铜加工有限公司 2018-06-08 CN claimed
CN-106140753-B For the hardening slot cleaning of the improvement groove body scaling fouling of continuous annealing production line 宝山钢铁股份有限公司 2018-05-22 CN claimed
CN-108047548-A A kind of anticorrosive ageing-resistant woven bag 安徽安远塑胶股份有限公司 2018-05-18 CN claimed
CN-105132110-B A kind of semi-synthetic cleaning rust-proof liquid and its preparing process 四会市格鲁森润滑技术有限公司 2018-05-18 CN claimed
CN-108019188-A A kind of pickling descaling method suitable for Salt mine underground shaft protective casing km waterflood-transmission line 中盐皓龙盐化有限责任公司 2018-05-11 CN claimed
CN-105670365-B A kind of nano hole sealing agent and its application for ceramic spraying coating 北京新立机械有限责任公司 2018-05-11 CN claimed
CN-108004559-A Environment-friendly neutral rust-removing and scale-removing solution and preparation method thereof 三达奥克化学股份有限公司 2018-05-08 CN claimed
CN-106216423-B A kind of production technology of the highly conductive oxygen-free copper stripe of ceramic copper-clad base plate 广州万粤知识产权运营有限公司 2018-05-08 CN claimed
CN-107936706-A The coating that a kind of valve port of automotive hub uses 安徽珩业车轮有限公司 2018-04-20 CN claimed
CN-104059618-B A kind of engine graphene oxide water-free cooling and preparation method thereof 四川力森特节能环保材料有限公司 2018-04-20 CN claimed