SCHEMBL7184607

SCHEMBL7184607

O=C1CCCc2ccc(OCc3ccncc3)cc21

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.76
MAOB P27338 17/20 0.76
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL3501723 0.86 MAOB (1.00) MAOAMAOBNPC1RAB9A
SCHEMBL30067289 0.86 MAOB (1.00) MAOAMAOBNPC1RAB9A
SCHEMBL6309072 0.84 MAOB (1.00) MAOAMAOB
SCHEMBL7215662 0.83 MAOB (0.94) MAOAMAOBNPC1RAB9A
SCHEMBL7222729 0.82 MAOB (0.97) MAOAMAOB
SCHEMBL7218099 0.80 MAOB (0.82) MAOAMAOBNPC1RAB9A
SCHEMBL8462058 0.80 RXRB (0.61) MAOAMAOBRXRARXRBRXRG
SCHEMBL7566856 0.79 MAOB (0.77) MAOAMAOB
SCHEMBL6308414 0.78 MAOB (0.82) MAOAMAOB
SCHEMBL2524800 0.77 MAOB (0.84) MAOAMAOBNPC1RAB9AHRH3

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-0941112-B1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS VERTEX PHARMA (US) 2003-02-12 EP disclosed
EP-0839143-B1 TETRALIN COMPOUNDS WITH MDR ACTIVITY VERTEX PHARMA (US) 2002-08-07 EP disclosed
US-5811434-A ADMINISTERING A COMPOSITION COMPRISING A NEUROTROPHIC AMOUNT OF A COMPOUND AND A NEUROTROPHIC FACTOR, SUCH AS NERVE GROWTH FACTOR VERTEX PHARMACUETICALS INCORPORATED (US) 1998-09-22 US disclosed
US-5726184-A TREATMENT OF MULTI-DRUG RESISTANT CELLS TO RESTORE SENSITIVITY TO THERAPEUTIC OR PROPHYLACTIC AGENTS VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-03-10 US disclosed