SCHEMBL8002128

SCHEMBL8002128

COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccc3ccccc3n2)CC1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.75
DRD4 P21917 5/20 0.75
ADRA1A P35348 4/20 0.75
ADRA1D P25100 3/20 0.75
ADRA1B P35368 3/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2D6 P10635 1/20 0.75
TSHR P16473 1/20 0.75
HTR1B P28222 1/20 0.75
HTR7 P34969 1/20 0.75
HTR2B P41595 1/20 0.74
SMN1; SMN2 Q16637 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
LMNA P02545 1/20 0.69
BLM P54132 1/20 0.69
PMP22 Q01453 1/20 0.69

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
SCHEMBL6933222 0.86 HTR1A (0.78) HTR1ADRD4ADRA1AADRA1DADRA1B
Way-100,635 SCHEMBL84178 0.86 HTR1A (1.00) HTR1ADRD4ADRA1AADRA1DADRA1B
Way-100,635 SCHEMBL13398069 0.86 HTR1A (1.00) HTR1ADRD4ADRA1AADRA1DADRA1B
Way-100,635 SCHEMBL29451114 0.86 HTR1A (1.00) HTR1ADRD4ADRA1AADRA1DADRA1B
Way-100,635 SCHEMBL30720034 0.86 HTR1A (1.00) HTR1ADRD4ADRA1AADRA1DADRA1B
SCHEMBL12590036 0.85 HTR1A (0.79) HTR1ADRD4ADRA1AADRA1DADRA1B
SCHEMBL13495762 0.85 HTR1A (0.79) HTR1ADRD4ADRA1AADRA1DADRA1B
Way-100,635 SCHEMBL29486911 0.85 HTR1A (1.00) HTR1ADRD4ADRA1AADRA1DADRA1B
Way-100,635 SCHEMBL6064589 0.85 HTR1A (1.00) HTR1ADRD4ADRA1AADRA1DADRA1B
Way-100,635 SCHEMBL2877337 0.85 HTR1A (1.00) HTR1ADRD4ADRA1AADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1084619-C Process for preparing medicine composition WYETH JOHN & BROTHER LTD (GB) 2002-05-15 CN claimed
US-6127357-A N-((phenyl, benzodioxinyl or N-heteroarylpiperazinyl)alkyl)-N-(N-heteroaryl)substituted carboxamides JOHN WYETH & BROTHER, LTD. (GB) 2000-10-03 US claimed
CN-1206589-A Process for preparing medicine composition WYETH JOHN & BROTHER LTD (GB) 1999-02-03 CN claimed
EP-0512755-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1994-12-14 EP claimed
EP-0512755-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1992-11-11 EP claimed
US-6127357-A N-((phenyl, benzodioxinyl or N-heteroarylpiperazinyl)alkyl)-N-(N-heteroaryl)substituted carboxamides JOHN WYETH & BROTHER, LTD. (GB) 2000-10-03 US disclosed
EP-0512755-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1994-12-14 EP disclosed
EP-0512755-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1992-11-11 EP disclosed