SCHEMBL7758530

SCHEMBL7758530

CCN1CCN(Cc2ccc(OC)c(OC)c2O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
CHRM2 P08172 2/20 0.54
OPRK1 P41145 2/20 0.54
CYP1A2 P05177 1/20 0.54
SLC6A4 P31645 1/20 0.54
OPRD1 P41143 1/20 0.54
APOBEC3A P31941 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2C19 P33261 1/20 0.50
BCHE P06276 1/20 0.48
POLB P06746 1/20 0.48
GFER P55789 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
SCHEMBL8063625 0.89 CYP1A2 (0.51) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL8947821 0.88 MEN1 (0.61) GAACHRM2OPRK1CYP1A2SLC6A4
SCHEMBL20595548 0.86 CHRM2 (0.70) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL8947879 0.86 CPT1B (0.53) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL30279513 0.85 MEN1 (0.59) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL8063657 0.85 CYP2C19 (0.56) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL5559041 0.85 MEN1 (0.59) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL8058972 0.84 CHRM2 (0.76) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL8061146 0.84 CPT1B (0.52) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL8048454 0.84 CPT1B (0.52) CHRM2OPRK1CYP1A2SLC6A4OPRD1

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
EP-0617027-B1 N-Benzylpiperazinderivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-06-07 EP claimed
US-5492913-A TREATING NEURONAL DISORDERS RESULTING FROM DYSFUNCTION OF OXIDATIVE METABOLISM ADIR ET COMPAGNIE (FR) 1996-02-20 US claimed
JP-7002814-A None JP disclosed
EP-0847999-B1 N-benzylpiperazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-03-21 EP disclosed
US-5849745-A N-benzylpiperazine compounds ADIR ET COMPAGNIE (FR) 1998-12-15 US disclosed
EP-0847999-A1 N-benzylpiperazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-06-17 EP disclosed
US-5492913-A TREATING NEURONAL DISORDERS RESULTING FROM DYSFUNCTION OF OXIDATIVE METABOLISM ADIR ET COMPAGNIE (FR) 1996-02-20 US disclosed
JP-H072814-A NEW N-BENZYLPIPERAZINE COMPOUND AND ITS PREPARATION ADIR 1995-01-06 JP disclosed