SCHEMBL6566385

SCHEMBL6566385

C=Cc1ccc(OC(C)C)c(OCCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 3/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 2/20 0.52
RAB9A P51151 8/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
AGTR1 P30556 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL6564420 0.90 L3MBTL1 (0.57) L3MBTL1HPGDTSHRMAPK1RAB9A
SCHEMBL6565624 0.83 L3MBTL1 (0.71) L3MBTL1HPGDTSHRMAPK1RAB9A
SCHEMBL6564387 0.83 RAB9A (0.67) L3MBTL1HPGDTSHRMAPK1RAB9A
SCHEMBL6565574 0.82 L3MBTL1 (0.59) L3MBTL1HPGDTSHRMAPK1RAB9A
SCHEMBL6565590 0.82 L3MBTL1 (0.59) L3MBTL1HPGDTSHRMAPK1RAB9A
SCHEMBL6565588 0.81 L3MBTL1 (0.58) L3MBTL1HPGDTSHRMAPK1RAB9A
SCHEMBL6564398 0.79 ALDH1A1 (0.59) L3MBTL1HPGDTSHRMAPK1RAB9A
SCHEMBL1470962 0.76 RAB9A (0.57) L3MBTL1HPGDTSHRMAPK1RAB9A
SCHEMBL15013524 0.74 RXFP1 (0.64) L3MBTL1HPGDTSHRMAPK1RAB9A
SCHEMBL16958172 0.73 KMT2A (0.44) HPGDALDH1A1LMNANPSR1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135360-B1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2004-03-31 EP disclosed
US-6350913-B1 AROMATIC AMINE COMPOUNDS PIERRE FABRE MEDICAMENT (FR) 2002-02-26 US disclosed
EP-1135360-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-09-26 EP disclosed
WO-2000032557-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2000-06-08 WO disclosed