SCHEMBL28699180

SCHEMBL28699180

CCC(NC(C)C)C(O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.64
ADRB1 P08588 11/20 0.64
DRD2 P14416 3/20 0.64
KDM4E B2RXH2 2/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
PTGS2 P35354 1/20 0.64
KMT2A Q03164 1/20 0.64
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HIF1A Q16665 1/20 0.63
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41

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
SCHEMBL11455788 0.87 ADRB2 (0.62) ADRB2ADRB1DRD2KDM4EMEN1
Hydrochloric Acid SCHEMBL11448860 0.86 KDM4E (0.63) ADRB2ADRB1DRD2KDM4EMEN1
SCHEMBL18946383 0.85 ADRB2 (0.48) ADRB2ADRB1DRD2KDM4EMEN1
SCHEMBL20373597 0.83 ADRB2 (0.44) ADRB2ADRB1DRD2KDM4EMEN1
SCHEMBL11448859 0.82 ADRB2 (0.69) ADRB2ADRB1DRD2KDM4EMEN1
SCHEMBL11458375 0.81 ADRB2 (0.68) ADRB2ADRB1DRD2KDM4EMEN1
SCHEMBL29002786 0.80 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL25196431 0.80 ADRB2 (0.53) ADRB2ADRB1DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL11458275 0.80 KDM4E (0.69) ADRB2ADRB1DRD2KDM4EMEN1
SCHEMBL25265416 0.80 ADRB2 (0.53) ADRB2ADRB1DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213323-B New process for synthesizing procaterol hydrochloride 四川美域高生物医药科技有限公司 2023-06-02 CN claimed
CN-114105872-B Intermediate for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2023-05-23 CN claimed
CN-114195712-B Intermediate capable of being used for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2023-05-16 CN claimed
CN-114213323-B New process for synthesizing procaterol hydrochloride 四川美域高生物医药科技有限公司 2023-06-02 CN disclosed
CN-114213323-B New process for synthesizing procaterol hydrochloride 四川美域高生物医药科技有限公司 2023-06-02 CN disclosed
CN-114105872-B Intermediate for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2023-05-23 CN disclosed
CN-114195712-B Intermediate capable of being used for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2023-05-16 CN disclosed
CN-114213323-A Novel process for synthesizing procaterol hydrochloride 四川美域高生物医药科技有限公司 2022-03-22 CN disclosed
CN-114195712-A Intermediate capable of being used for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2022-03-18 CN disclosed
CN-114105872-A Intermediate for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2022-03-01 CN disclosed