SCHEMBL8010247

SCHEMBL8010247

COc1ccccc1N1CCN(C[C@H](C)N(C(=O)C2CCCCC2)c2ccccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
ADRA1A P35348 4/20 0.70
DRD4 P21917 3/20 0.70
ADRA1D P25100 3/20 0.70
ADRA1B P35368 3/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 2/20 0.70
TSHR P16473 1/20 0.70
HTR1B P28222 1/20 0.70
HTR7 P34969 1/20 0.70
HTR2B P41595 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64

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
SCHEMBL7474356 1.00 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL7474354 1.00 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL27351354 0.84 HTR1A (0.73) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL27347000 0.84 HTR1A (0.73) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL14275261 0.84 HTR1A (0.83) HTR1AMEN1KMT2AADRA1ADRD4
Way-100,635 SCHEMBL13398069 0.82 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
Way-100,635 SCHEMBL84178 0.82 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
Way-100,635 SCHEMBL29451114 0.82 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
Way-100,635 SCHEMBL30720034 0.82 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL8136258 0.82 HTR1A (0.70) HTR1AMEN1KMT2AADRA1ADRD4

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
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
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