SCHEMBL27987007

SCHEMBL27987007

CN(Cc1cc(Br)cc(Cl)c1N)C1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.75
▸ ABCB11 O95342 1/20 0.75
▸ ADORA3 P0DMS8 1/20 0.75
▸ AR P10275 1/20 0.75
▸ SLC6A2 P23975 1/20 0.75
▸ PDE4A P27815 1/20 0.75
▸ SLC6A4 P31645 1/20 0.75
▸ SLC6A3 Q01959 1/20 0.75
▸ KCNH2 Q12809 1/20 0.75
▸ SIGMAR1 Q99720 1/20 0.75
▸ LMNA P02545 4/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ HTT P42858 1/20 0.73
▸ CHEK1 O14757 1/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ RET P07949 1/20 0.43
▸ MET P08581 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PIM1 P11309 1/20 0.43

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
SCHEMBL30080344 1.00 CYP2D6 (0.75) CYP2D6ABCB11ADORA3ARSLC6A2
Bromhexine SCHEMBL19059 0.86 CYP2D6 (1.00) CYP2D6ABCB11ADORA3ARSLC6A2
Bromhexine SCHEMBL29379593 0.86 CYP2D6 (1.00) CYP2D6ABCB11ADORA3ARSLC6A2
Bromhexine SCHEMBL10704011 0.84 LMNA (1.00) CYP2D6ABCB11ADORA3ARSLC6A2
Hydrochloric Acid SCHEMBL28918877 0.84 LMNA (0.59) CYP2D6ABCB11ADORA3ARSLC6A2
Bromhexine SCHEMBL99613 0.84 LMNA (1.00) CYP2D6ABCB11ADORA3ARSLC6A2
SCHEMBL11617745 0.84 CYP2D6 (0.77) CYP2D6ABCB11ADORA3ARSLC6A2
Bromhexine SCHEMBL18548828 0.84 CYP2D6 (0.97) CYP2D6ABCB11ADORA3ARSLC6A2
SCHEMBL11623066 0.83 CYP2D6 (0.75) CYP2D6ABCB11ADORA3ARSLC6A2
SCHEMBL26048437 0.83 CYP2D6 (0.75) CYP2D6ABCB11ADORA3ARSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115980202-B High performance liquid chromatography detection method for bromhexine hydrochloride crude drug related substances 山东齐都药业有限公司 2025-03-28 — — CN claimed
CN-115980202-A High performance liquid chromatography detection method for related substances of bromhexine hydrochloride bulk drug 山东齐都药业有限公司 2023-04-18 — — CN claimed
CN-115518058-A Application of N-cycloalkyl substituted aromatic methylamine compound in preparation of antiviral drug, structure and preparation method 河北医科大学 2022-12-27 — — CN claimed
CN-115980202-B High performance liquid chromatography detection method for bromhexine hydrochloride crude drug related substances 山东齐都药业有限公司 2025-03-28 — — CN disclosed
CN-115980202-A High performance liquid chromatography detection method for related substances of bromhexine hydrochloride bulk drug 山东齐都药业有限公司 2023-04-18 — — CN disclosed
CN-115518058-A Application of N-cycloalkyl substituted aromatic methylamine compound in preparation of antiviral drug, structure and preparation method 河北医科大学 2022-12-27 — — CN disclosed
CN-111568861-A Bromhexine hydrochloride oral liquid for livestock and poultry as well as preparation method and application thereof 河北科星药业有限公司 2020-08-25 — — CN disclosed
CN-106053640-A Method for detecting bromhexine hydrochloride and preparation related substances 万邦德制药集团股份有限公司 2016-10-26 — — CN disclosed
CN-104086445-A Method for detecting bromhexine hydrochloride and preparation related substances ZHEJIANG WANBANG PHARMACEUTICAL CO LTD 2014-10-08 — — CN disclosed
Send feedback