SCHEMBL8946048

SCHEMBL8946048

OCCN(c1ccncc1F)n1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.44
ROCK1 Q13464 1/20 0.43
SLC6A2 P23975 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SRD5A2 P31213 1/20 0.37
HDAC1 Q13547 2/20 0.37
ALOX5 P09917 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CYP26A1 O43174 1/20 0.35
CYP3A4 P08684 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL7621050 0.91 BCHE (0.51) BCHEROCK1SLC6A2MEN1NPC1
Hydrochloric Acid SCHEMBL8544417 0.90 BCHE (0.51) BCHEROCK1SLC6A2MEN1NPC1
SCHEMBL8946189 0.89 ROCK1 (0.43) ROCK1SLC6A2MRGPRX4MEN1NPC1
SCHEMBL8946215 0.84 SLC6A2 (0.56) BCHEROCK1SLC6A2
SCHEMBL8946193 0.84 BCHE (0.46) BCHEROCK1MEN1KMT2ASRD5A2
SCHEMBL8946151 0.84 MEN1 (0.47) BCHEROCK1SLC6A2MRGPRX4MEN1
SCHEMBL8946156 0.81 SLC6A2 (0.49) BCHESLC6A2MEN1KMT2A
SCHEMBL8946101 0.79 BCHE (0.42) BCHEROCK1SLC6A2
SCHEMBL9674458 0.76 ROCK1 (0.46) ROCK1SLC6A2MRGPRX4MEN1NPC1
SCHEMBL8539041 0.75 SLC6A2 (0.71) ROCK1SLC6A2MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276156-A Antidepressants, treatment of Alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-01-04 US claimed
EP-0509400-B1 1-(Pyrido[3,4-b]-1,4-oxazinyl-4-yl)-1H-indoles, intermediates and a process for their preparation, and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-07-03 EP disclosed
US-5519131-A CYCLIZATION OF HYDROXYALKYLAMINO COMPOUND IN THE PRESENCE OF STRONG BASE SUCH AS SODIUM HYDRIDE OR POTASSIUM TERT-BUTOXIDE HOECHST MARION ROUSSEL INC. (US) 1996-05-21 US disclosed
US-5276156-A Antidepressants, treatment of Alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-01-04 US disclosed
US-5214038-A Cholinesterase inhibitors, antidepressants, cognition activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-05-25 US disclosed
EP-0509400-A1 1-(Pyrido[3,4-b]-1,4-oxazinyl-4-yl)-1H-indoles, intermediates and a process for their preparation, and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-10-21 EP disclosed