SCHEMBL25335293

SCHEMBL25335293

NCCCOc1cccc2c1OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.46
MTNR1A P48039 4/20 0.46
HTR1A P08908 3/20 0.44
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MCHR1 Q99705 3/20 0.39
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SLC6A4 P31645 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
TTBK1 Q5TCY1 1/20 0.35
TTBK2 Q6IQ55 1/20 0.35
MGAM O43451 1/20 0.35
AMY1A P0DUB6 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35

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
Hydrochloric Acid SCHEMBL25334638 0.98 HTR1B (0.45) HTR1BMTNR1AHTR1AKMT2ATDP1
SCHEMBL6173819 0.87 MTNR1A (0.59) HTR1BMTNR1AHTR1AKDM4ESLC6A4
SCHEMBL9239494 0.85 MTNR1A (0.47) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL13534270 0.84 MTNR1A (0.50) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL9236154 0.84 MTNR1A (0.48) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL5871763 0.84 MTNR1A (0.46) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL9238978 0.83 MTNR1A (0.47) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL10339701 0.83 MTNR1A (0.50) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL7531535 0.83 MTNR1A (0.60) HTR1BMTNR1AHTR1ASLC6A4
SCHEMBL4309152 0.82 MTNR1A (0.48) MTNR1AHTR1AKMT2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4471019-A4 3-[(BENZO[D][1,3]DIOXOLANE-4-YL)OXY]PROPYLAMINE HYDROCHLORIDE, OPTICAL ISOMER AND CRYSTAL THEREOF, AND PREPARATION METHOD THEREFOR Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2025-05-28 EP disclosed
EP-4471019-A1 3-[(BENZO[D][1,3]DIOXOLANE-4-YL)OXY]PROPYLAMINE HYDROCHLORIDE, OPTICAL ISOMER AND CRYSTAL THEREOF, AND PREPARATION METHOD THEREFOR Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2024-12-04 EP disclosed
WO-2023143455-A1 3-[(BENZO[D][1,3]DIOXOLANE-4-YL)OXY]PROPYLAMINE HYDROCHLORIDE, OPTICAL ISOMER AND CRYSTAL THEREOF, AND PREPARATION METHOD THEREFOR 江苏恩华药业股份有限公司 2023-08-03 WO disclosed
WO-2023143455-A1 3-[(BENZO[D][1,3]DIOXOLANE-4-YL)OXY]PROPYLAMINE HYDROCHLORIDE, OPTICAL ISOMER AND CRYSTAL THEREOF, AND PREPARATION METHOD THEREFOR 江苏恩华药业股份有限公司 2023-08-03 WO disclosed