SCHEMBL8017690

SCHEMBL8017690

O=C(CN1CCN(c2nccc3ccccc23)CC1)Nc1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.58
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
THRB P10828 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.52
HRH4 Q9H3N8 1/20 0.51
HCAR2 Q8TDS4 1/20 0.51
SORD Q00796 1/20 0.49
OGA O60502 1/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
POLB P06746 1/20 0.48
HTR2C P28335 1/20 0.48
GAA P10253 1/20 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
SCHEMBL8012858 0.85 DRD2 (0.63) TAOK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8010250 0.80 ALDH1A1 (0.54) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL8011059 0.79 HRH4 (0.56) HRH4SORDDRD2DRD4HTR2C
SCHEMBL8919985 0.76 MEN1 (0.64) TAOK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL14427198 0.76 KMT2A (0.68) TAOK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8297534 0.76 MEN1 (0.61) TAOK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL978086 0.76 MEN1 (0.61) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL10245567 0.76 MEN1 (0.60) TAOK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8001825 0.75 LMNA (0.60) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL4714057 0.75 MEN1 (0.66) TAOK1ALDH1A1LMNAMAPTSMN1; SMN2

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 4 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 disclosed
CN-1040106-C Process for preparing piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1998-10-07 CN 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