SCHEMBL8551287

SCHEMBL8551287

Cc1oc2ccc(C(=O)N3CCCC3)cc2c1CCN(C)Cc1ccc2[nH]ncc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
ACACB O00763 7/20 0.40
ROCK2 O75116 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ACACA Q13085 6/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
KCNH2 Q12809 4/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DDR1 Q08345 4/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR183 P32249 1/20 0.37

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
SCHEMBL8181139 0.86 NPC1 (0.48) HPGDACACBROCK2DYRK1ACLK4
SCHEMBL8550959 0.84 KDM4E (0.39) ROCK2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8706907 0.84 HPGD (0.42) HPGDACACBROCK2DYRK1ACLK4
SCHEMBL8552802 0.78 ROCK1 (0.41) ROCK2RAB9ANPC1KMT2A
SCHEMBL8552248 0.77 CNR1 (0.47) HPGDROCK2RAB9ANPC1SMN1; SMN2
SCHEMBL8549181 0.76 ROCK2 (0.42) HPGDROCK2KMT2A
SCHEMBL8551076 0.74 CNR2 (0.41) HPGDRAB9ANPC1KMT2A
SCHEMBL31581176 0.71 HPGD (0.66) HPGDACACBROCK2DYRK1ACLK4
SCHEMBL7140235 0.70 ALDH1A1 (0.41) ROCK2SMN1; SMN2KMT2A
SCHEMBL15243010 0.70 HPGD (0.68) HPGDACACBROCK2DYRK1ACLK4

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
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed