SCHEMBL8048396

SCHEMBL8048396

COc1ccc(CN2CCN(CCCCO)CC2)c(O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
CHRM2 P08172 2/20 0.48
CYP1A2 P05177 1/20 0.48
SLC6A4 P31645 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
APOBEC3A P31941 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 2/20 0.45
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44

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
SCHEMBL8048454 0.89 CPT1B (0.52) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL8061146 0.89 CPT1B (0.52) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL6139063 0.89 CPT1B (0.52) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL8947879 0.88 CPT1B (0.53) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL8063625 0.85 CYP1A2 (0.51) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL8947821 0.85 MEN1 (0.61) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL8058919 0.84 CPT1B (0.48) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL8058961 0.83 CPT1B (0.49) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL7758530 0.82 GAA (0.57) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL21650914 0.81 MEN1 (0.70) CPT1BMEN1KMT2AALDH1A1KDM4E

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 3 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 disclosed
US-5492913-A TREATING NEURONAL DISORDERS RESULTING FROM DYSFUNCTION OF OXIDATIVE METABOLISM ADIR ET COMPAGNIE (FR) 1996-02-20 US disclosed
EP-0617027-A1 N-Benzylpiperazinderivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-09-28 EP disclosed