SCHEMBL22129387

SCHEMBL22129387

NC1([Pd])CC=CC=C1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL734441 0.81 PNMT (0.32) PNMTMAOAMAOBSLC6A2SLC6A4
Methane SCHEMBL22366555 0.79 PNMT (0.31) PNMTMAOAMAOB
SCHEMBL28872725 0.78 PNMT (0.31) PNMTMAOAMAOB
SCHEMBL9537410 0.78 MAOB (0.32) PNMTMAOAMAOB
SCHEMBL29385662 0.78 SLC6A2 (0.32) PNMTMAOAMAOBSLC6A2SLC6A4
SCHEMBL28815366 0.78 CYP3A4 (0.31) PNMTMAOAMAOB
SCHEMBL1153470 0.78 MAOA (0.33) PNMTMAOAMAOBSLC6A2SLC6A4
SCHEMBL30587795 0.78 PNMT (0.31) PNMTMAOAMAOB
SCHEMBL31442063 0.76 PNMT (0.37) PNMTMAOAMAOBSLC6A2SLC6A4
SCHEMBL28472536 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292304-B Method for synthesizing aryl alkyne lead compound 康龙化成(宁波)科技发展有限公司 2024-07-09 CN claimed
CN-118084852-A Spiro [ 9H-fluorene-9, 9' - [9H ] xanthene ] organic photoelectric material, and preparation method and application thereof 河南省科学院化学研究所有限公司 2024-05-28 CN claimed
CN-118027047-A Preparation method of sandy midbody 西安交通大学 2024-05-14 CN claimed
CN-116425769-B Quinoid small molecule containing dimethylamine side chain, preparation method thereof and application thereof in solar cell device 天津大学 2024-04-05 CN claimed
WO-2024051852-A1 PYRIMIDINE-CONTAINING POLYCYCLIC BIOLOGICAL INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2024-03-14 WO claimed
CN-117677607-A Process for producing aryl amide derivative 中外制药株式会社 2024-03-08 CN claimed
CN-114380778-B Preparation method of chiral spiro compound 苏州凯若利新材料科技有限公司 2023-11-24 CN claimed
CN-113603868-B Stille cross-coupling room-temperature polymerization method based on aryl dihalide and aryl dittany 中国科学院大学 2023-11-24 CN claimed
CN-115181082-B Synthetic method of natural molecule Moracin M 江苏集萃分子工程研究院有限公司 2023-11-03 CN claimed
CN-116888125-A TYK2 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2023-10-13 CN claimed
CN-115181082-A Synthetic method of natural molecule Moracin M 江苏集萃分子工程研究院有限公司 2022-10-14 CN claimed
CN-112521361-B Spiro [ fluorene-9, 9' -xanthene ] compound and preparation method thereof 河南省科学院化学研究所有限公司 2022-09-20 CN claimed
CN-114989033-A Production process of tiramide hydrochloride 苏州诚和医药化学有限公司 2022-09-02 CN claimed
CN-114292304-A Method for synthesizing aryl alkyne lead compound 康龙化成(宁波)科技发展有限公司 2022-04-08 CN claimed
CN-114057776-A Novel synthesis method of pyrimidopiperidine derivative with anticancer activity 南京碳硅人工智能生物医药技术研究院有限公司 2022-02-18 CN claimed
CN-113831348-A Indandione end-capped pyrrolopyrrole dione quinoid compound and preparation method and application thereof 天津大学 2021-12-24 CN claimed
CN-113773259-A Virus main protease inhibitor and preparation method and application thereof 上海药明康德新药开发有限公司 2021-12-10 CN claimed
CN-113603868-A Stille cross-coupling room temperature polymerization method based on aryl dihalide and aryl distannane 中国科学院大学 2021-11-05 CN claimed
CN-109661399-B Cross-coupling method 里科瑞尔姆IP控股有限责任公司 2021-09-07 CN claimed
CN-109694382-B Method for preparing arylboronic acid ester at room temperature 广州医科大学 2021-01-05 CN claimed