SCHEMBL5555422

SCHEMBL5555422

COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 9/20 0.83
SLC6A9 P48067 8/20 0.83
ALDH1A1 P00352 4/20 0.71
KDM4E B2RXH2 1/20 0.71
IDE P14735 1/20 0.67
MAPT P10636 2/20 0.63
PAX8 Q06710 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL3924591 0.93 SLC6A5 (0.85) SLC6A5SLC6A9ALDH1A1KDM4EIDE
SCHEMBL3916574 0.91 SLC6A5 (1.00) SLC6A5SLC6A9IDEPAX8SMN1; SMN2
SCHEMBL3925242 0.89 SLC6A5 (0.76) SLC6A5SLC6A9ALDH1A1KDM4EIDE
SCHEMBL27859058 0.88 SLC6A5 (0.78) SLC6A5SLC6A9ALDH1A1KDM4EIDE
SCHEMBL3927761 0.87 IDE (0.69) SLC6A5SLC6A9ALDH1A1IDEPAX8
SCHEMBL4422290 0.84 LMNA (0.81) SLC6A5SLC6A9ALDH1A1IDEMAPT
SCHEMBL27643069 0.84 IDE (0.65) SLC6A5SLC6A9ALDH1A1IDEMAPT
SCHEMBL27643071 0.82 IDE (0.63) SLC6A5SLC6A9ALDH1A1IDEMAPT
SCHEMBL13687883 0.82 SLC6A5 (1.00) SLC6A5SLC6A9IDEPAX8SMN1; SMN2
SCHEMBL5044849 0.81 SLC6A5 (0.81) SLC6A5SLC6A9IDEPAX8SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663232-B1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2007-10-03 EP claimed
EP-1663232-B1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed