SCHEMBL8539616

SCHEMBL8539616

c1ccc(COc2ccc3c(ccn3Nc3ccncc3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.56
ROCK1 Q13464 1/20 0.52
F2 P00734 2/20 0.50
KCNH2 Q12809 1/20 0.48
GRIN2B Q13224 1/20 0.48
ALOX5 P09917 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP3A4 P08684 1/20 0.43
SRD5A2 P31213 1/20 0.43
ROCK2 O75116 1/20 0.41
GRK2 P25098 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL9738305 0.82 ROCK1 (0.47) ROCK1ALOX5NPC1RAB9AMEN1
SCHEMBL8539129 0.82 ROCK1 (0.47) ROCK1F2KCNH2GRIN2BALOX5
SCHEMBL9738600 0.82 ROCK1 (0.47) SLC6A2ROCK1ALOX5NPC1RAB9A
SCHEMBL7614109 0.78 SLC6A2 (0.57) SLC6A2ROCK1
SCHEMBL7608007 0.78 SLC6A2 (0.58) SLC6A2F2KCNH2GRIN2BNPC1
SCHEMBL9194734 0.78 ROCK1 (0.54) ROCK1ALOX5NPC1RAB9AMEN1
SCHEMBL8539582 0.74 SLC6A2 (0.57) SLC6A2ROCK1ALOX5NPC1RAB9A
SCHEMBL8714827 0.74 SLC6A2 (0.53) SLC6A2F2KCNH2GRIN2BNPC1
SCHEMBL9739945 0.74 ROCK1 (0.43) ROCK1F2KCNH2GRIN2BALOX5
SCHEMBL8539198 0.74 SLC6A2 (0.62) SLC6A2CYP3A4

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-4970218-A ANALGESIC, ANTIDEPRESSANT, MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 US claimed
EP-0468401-B1 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-09-16 EP disclosed
US-5102891-A Useful for treating various memory dysfunctions such as alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-04-07 US disclosed
EP-0468401-A2 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-29 EP disclosed
US-5039811-A Analgesics, antidepressants, memory activators; condensation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-13 US disclosed
US-4970218-A ANALGESIC, ANTIDEPRESSANT, MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 US disclosed