SCHEMBL5595285

SCHEMBL5595285

c1ccc2nc(CNCCCN3CCNCC3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A4 P31645 5/20 0.45
CYP3A4 P08684 3/20 0.45
HTR1A P08908 3/20 0.45
HTR2C P28335 2/20 0.45
CYP1A2 P05177 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
MAPK1 P28482 1/20 0.45
HTR7 P34969 1/20 0.45
HTT P42858 1/20 0.45
HTR3A P46098 1/20 0.45
HTR6 P50406 1/20 0.45
PMP22 Q01453 1/20 0.45

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
SCHEMBL2445174 0.91 MEN1 (0.47) SLC6A4HTR1AHTR2CMEN1MAPT
SCHEMBL26708919 0.84 ALDH1A1 (0.47) ALDH1A1ALOX15TSHRL3MBTL1SLC6A4
SCHEMBL10310510 0.82 ALDH1A1 (0.51) ALDH1A1ALOX15TSHRL3MBTL1SLC6A4
SCHEMBL11785110 0.80 SLC6A4 (0.56) ALDH1A1SLC6A4CYP3A4HTR1AHTR2C
SCHEMBL10614795 0.78 HDAC1 (0.48) CYP1A2KDM4EHTTHSD17B10HDAC1
SCHEMBL5604920 0.77 SLC6A4 (0.64) ALDH1A1ALOX15TSHRL3MBTL1SLC6A4
SCHEMBL29756443 0.77 CYP3A4 (0.55) ALDH1A1SLC6A4CYP3A4HTR1AHTR2C
SCHEMBL2170401 0.77 CYP3A4 (0.55) ALDH1A1SLC6A4CYP3A4HTR1AHTR2C
SCHEMBL30388584 0.76 KDM1A (0.50) CYP1A2KDM4EHTTHSD17B10HDAC1
SCHEMBL3917010 0.76 CXCR4 (0.57) ALDH1A1SLC6A4CYP3A4HTR1AHTR2C

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
EP-1809288-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-07-25 EP claimed
WO-2006051489-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-05-18 WO claimed
EP-1809288-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-07-25 EP disclosed
WO-2006051489-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-05-18 WO disclosed