SCHEMBL8093101

SCHEMBL8093101

Cn1ccc2c(CCCCN)cccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
HTR6 P50406 2/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1F P30939 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43
RHEB Q15382 1/20 0.42
TLR8 Q9NR97 4/20 0.42
MAPT P10636 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MPO P05164 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL31370592 0.88 HTR2A (0.62) HTR2AHTR6HTR1AHTR1DHTR1B
SCHEMBL10968328 0.84 HDAC1 (0.39) HTR2AHTR6HTR1AHTR1DHTR1B
SCHEMBL8659188 0.84 HDAC1 (0.39) HTR2AHTR6HTR1AHTR1DHTR1B
SCHEMBL112354 0.81 HTR2A (0.47) HTR2AHTR6HTR1AHTR1DHTR1B
SCHEMBL17784718 0.78 HDAC1 (0.44) HTR2AHTR6HTR1AHTR1DHTR1B
SCHEMBL7453176 0.77 KDM4E (0.45) HTR2AHTR6HTR1AHTR1DHTR1B
SCHEMBL8739002 0.75 MAPT (0.46) HTR2ARHEBMAPTHDAC1HDAC2
SCHEMBL22746838 0.74 ALDH1A1 (0.44) HTR2ARHEBMAPTHDAC1HDAC2
SCHEMBL15105484 0.74 KDM4E (0.44) HTR2ARHEBMAPTHDAC1HDAC2
SCHEMBL1288089 0.74 KDM4E (0.48) HTR2ARHEBMAPTHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229082-A Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 1999-09-22 CN claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN claimed
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP disclosed