SCHEMBL28005458

SCHEMBL28005458

N[C@H]1CC1c1ccc(F)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 19/20 0.69
KDM1B Q8NB78 5/20 0.69
KCNH2 Q12809 3/20 0.69
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HTR2B P41595 1/20 0.59
MAOA P21397 1/20 0.49

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
SCHEMBL15011508 1.00 KDM1A (0.69) KDM1AKDM1BKCNH2HTR2AHTR2C
SCHEMBL245340 1.00 KDM1A (0.69) KDM1AKDM1BKCNH2HTR2AHTR2C
SCHEMBL15011361 1.00 KDM1A (0.69) KDM1AKDM1BKCNH2HTR2AHTR2C
SCHEMBL29575947 1.00 KDM1A (0.69) KDM1AKDM1BKCNH2HTR2AHTR2C
SCHEMBL3609223 1.00 KDM1A (0.69) KDM1AKDM1BKCNH2HTR2AHTR2C
SCHEMBL15286633 1.00 KDM1A (0.69) KDM1AKDM1BKCNH2HTR2AHTR2C
SCHEMBL2612405 1.00 KDM1A (0.69) KDM1AKDM1BKCNH2HTR2AHTR2C
SCHEMBL247873 1.00 KDM1A (0.69) KDM1AKDM1BKCNH2HTR2AHTR2C
Hydrochloric Acid SCHEMBL15282062 0.98 KDM1A (0.67) KDM1AKDM1BKCNH2HTR2AHTR2C
Hydrochloric Acid SCHEMBL15058586 0.98 KDM1A (0.67) KDM1AKDM1BKCNH2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126059-A Preparation method of ticagrelor intermediate (1R, 2S) -2- (3, 4-difluorophenyl) cyclopropylamine 江苏阿尔法药业股份有限公司 2023-11-28 CN claimed
CN-104592237-A Synthesis method of anticoagulant drug ticagrelor XUZHOU WANBANG JINQIAO PHARMA CO LTD 2015-05-06 CN claimed
CN-117126059-A Preparation method of ticagrelor intermediate (1R, 2S) -2- (3, 4-difluorophenyl) cyclopropylamine 江苏阿尔法药业股份有限公司 2023-11-28 CN disclosed
CN-116410946-A Carbonyl reductase LsCR mutant and application thereof in catalytic synthesis of chiral alcohol 浙江工业大学 2023-07-11 CN disclosed
CN-114601808-B Ticagrelor tablet and preparation method thereof 扬子江药业集团广州海瑞药业有限公司 2023-07-04 CN disclosed
CN-104592237-A Synthesis method of anticoagulant drug ticagrelor XUZHOU WANBANG JINQIAO PHARMA CO LTD 2015-05-06 CN disclosed