SCHEMBL4426817

SCHEMBL4426817

CN(C)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.81
SMN1; SMN2 Q16637 2/20 0.81
MAPT P10636 3/20 0.74
ALDH1A1 P00352 4/20 0.74
GPR55 Q9Y2T6 2/20 0.70
MAPK1 P28482 2/20 0.59
KMT2A Q03164 2/20 0.59
SLC6A9 P48067 6/20 0.58
SLC6A5 Q9Y345 6/20 0.58
IDE P14735 1/20 0.56
HTT P42858 1/20 0.53
POLB P06746 1/20 0.53
PAX8 Q06710 1/20 0.52

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
SCHEMBL4421403 0.88 LMNA (0.91) LMNASMN1; SMN2MAPTALDH1A1GPR55
SCHEMBL4423014 0.85 LMNA (1.00) LMNASMN1; SMN2MAPTALDH1A1GPR55
SCHEMBL4422290 0.85 LMNA (0.81) LMNASMN1; SMN2MAPTALDH1A1GPR55
SCHEMBL28759648 0.82 LMNA (0.76) LMNASMN1; SMN2MAPTALDH1A1GPR55
SCHEMBL4423549 0.81 ALDH1A1 (0.83) LMNASMN1; SMN2MAPTALDH1A1GPR55
SCHEMBL22767345 0.78 LMNA (0.74) LMNASMN1; SMN2MAPTALDH1A1GPR55
SCHEMBL22766914 0.78 SMN1; SMN2 (0.73) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL22767393 0.77 SMN1; SMN2 (0.72) LMNASMN1; SMN2MAPTALDH1A1GPR55
SCHEMBL4424444 0.76 KMT2A (0.78) LMNASMN1; SMN2MAPTALDH1A1GPR55
SCHEMBL4424727 0.76 ALDH1A1 (0.73) LMNASMN1; SMN2MAPTALDH1A1GPR55

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-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 EP claimed
EP-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed