SCHEMBL8961462

SCHEMBL8961462

c1cnc2c(N3CCCC3)cccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.73
HTR2C P28335 1/20 0.73
SLC6A4 P31645 1/20 0.73
ADRA1A P35348 4/20 0.52
HRH1 P35367 3/20 0.52
ADRA1B P35368 3/20 0.52
KCNH2 Q12809 3/20 0.52
HRH3 Q9Y5N1 3/20 0.52
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
TNNC1 P63316 1/20 0.50
HTR1A P08908 3/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 4/20 0.48

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
SCHEMBL29746904 1.00 HTR2A (0.73) HTR2AHTR2CSLC6A4ADRA1AHRH1
SCHEMBL9673340 0.98 HTR2A (0.71) HTR2AHTR2CSLC6A4ADRA1AHRH1
SCHEMBL12932459 0.86 HTR2A (0.60) HTR2AHTR2CSLC6A4ADRA1AHRH1
SCHEMBL7515421 0.86 HTR2A (0.88) HTR2AHTR2CSLC6A4MAPTHTR1A
SCHEMBL13772684 0.84 HTR2A (0.67) HTR2AHTR2CSLC6A4ADRA1AHRH1
SCHEMBL1045944 0.84 HTR2A (1.00) HTR2AHTR2CSLC6A4MAPTHTR1A
Hydrochloric Acid SCHEMBL1048620 0.83 HTR2A (0.97) HTR2AHTR2CSLC6A4MAPTHTR1A
SCHEMBL3565769 0.83 HTR2A (0.65) HTR2AHTR2CSLC6A4HTR1AALDH1A1
SCHEMBL30600597 0.82 HTR2A (0.63) HTR2AHTR2CSLC6A4ADRA1AHRH1
Methyl Alcohol SCHEMBL27731985 0.80 HTR2A (0.91) HTR2AHTR2CSLC6A4MAPTHTR1A

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-114656389-B Synthesis method of 1-phenylpyrrolidine 河南大学 2023-12-15 CN disclosed
CN-114656389-A Synthesis method of 1-phenylpyrrolidine 河南大学 2022-06-24 CN disclosed
EP-0534844-B1 New derivatives of decahydroquinoline, process for their preparation, intermediaires of the preparation, their use as medicines and compositions containing them ROUSSEL UCLAF (FR) 1996-02-07 EP disclosed
EP-0534844-A1 New derivatives of decahydroquinoline, process for their preparation, intermediaires of the preparation, their use as medicines and compositions containing them ROUSSEL UCLAF (FR) 1993-03-31 EP disclosed
EP-0233793-B1 DECAHYDROQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1992-04-01 EP disclosed
EP-0233793-A2 Decahydroquinoline derivatives, process for their preparation, intermediates for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1987-08-26 EP disclosed