SCHEMBL2442841

SCHEMBL2442841

O=CCc1ccccc1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
NAAA Q02083 1/20 0.40
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 4/20 0.37
PTGS2 P35354 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
CYP2D6 P10635 2/20 0.34
KCNH2 Q12809 2/20 0.34
EPHX2 P34913 1/20 0.33
CEL P19835 2/20 0.33
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL1515856 0.98 PTGDR2 (0.43) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL2446792 0.98 PTGDR2 (0.43) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL17594282 0.92 SLC6A2 (0.39) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL18668719 0.81 KMT2A (0.40) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL251314 0.80 PTGDR2 (0.40) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL522584 0.79 PTGDR2 (0.44) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL12474580 0.79 PTGDR2 (0.44) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL9614876 0.78 GABRA1 (0.39) PTGDR2NAAASLC6A2SLC6A4SLC6A3
Formic Acid SCHEMBL27918099 0.77 PTGDR2 (0.44) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL4982238 0.77 DRD2 (0.38) ALDH1A1DRD1ADRA1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116046945-A Method for detecting related substances of penehyclidine hydrochloride injection by high performance liquid chromatography 上海旭东海普药业有限公司 2023-05-02 CN claimed
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
CN-116046945-B Method for detecting related substances of penehyclidine hydrochloride injection by high performance liquid chromatography 上海旭东海普药业有限公司 2025-03-11 CN disclosed
CN-116046945-A Method for detecting related substances of penehyclidine hydrochloride injection by high performance liquid chromatography 上海旭东海普药业有限公司 2023-05-02 CN disclosed
CN-111925281-B Preparation method of penehyclidine hydrochloride impurity 2-cyclopentyl-2-phenylacetaldehyde 江苏恩华药业股份有限公司 2022-04-15 CN disclosed
CN-111925281-B Preparation method of penehyclidine hydrochloride impurity 2-cyclopentyl-2-phenylacetaldehyde 江苏恩华药业股份有限公司 2022-04-15 CN disclosed
CN-111925281-A Preparation method of penehyclidine hydrochloride impurity 2-cyclopentyl-2-phenylacetaldehyde 江苏恩华药业股份有限公司 2020-11-13 CN disclosed
CN-111925281-A Preparation method of penehyclidine hydrochloride impurity 2-cyclopentyl-2-phenylacetaldehyde 江苏恩华药业股份有限公司 2020-11-13 CN disclosed
US-5936128-A BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV WARNER-LAMBERT COMPANY (US) 1999-08-10 US disclosed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed