SCHEMBL7138685

SCHEMBL7138685

O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
ALDH1A1 P00352 7/20 0.65
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
SSTR1 P30872 3/20 0.61
SSTR3 P32745 3/20 0.61
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 2/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL14599486 0.84 GAA (0.53) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL6711014 0.83 FAAH (0.44) MAPTALDH1A1LMNASMN1; SMN2SSTR1
SCHEMBL4652078 0.83 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2SSTR1
SCHEMBL1919737 0.83 NPC1 (0.46) MAPTALDH1A1LMNASMN1; SMN2SSTR1
SCHEMBL3853309 0.82 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2SSTR1
SCHEMBL29881725 0.82 KMT2A (0.44) MAPTALDH1A1LMNASMN1; SMN2SSTR1
SCHEMBL22589628 0.82 KMT2A (0.44) MAPTALDH1A1LMNASMN1; SMN2SSTR1
SCHEMBL29409629 0.82 KMT2A (0.44) MAPTALDH1A1LMNASMN1; SMN2SSTR1
SCHEMBL22397770 0.82 POLB (0.52) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL13327274 0.82 POLB (0.52) MAPTALDH1A1LMNASMN1; SMN2MEN1

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-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 EP disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 WO disclosed