SCHEMBL4754083

SCHEMBL4754083

COCC(Oc1cc[c]cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.45
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 4/20 0.38
HRH3 Q9Y5N1 2/20 0.38
NPC1 O15118 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
MTOR P42345 2/20 0.38
RAB9A P51151 2/20 0.38
KCNK2 O95069 2/20 0.38
KCNH2 Q12809 2/20 0.38
CACNA1C Q13936 2/20 0.38
CYP3A4 P08684 2/20 0.38
HTR2C P28335 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4450767 0.78 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL1509392 0.77 SCN4A (0.43) SLC6A4KMT2ALMNACYP2D6HTR2C
SCHEMBL5958191 0.76 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6048337 0.75 SLC7A5 (0.51) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL16012833 0.74 ACACB (0.33) CYP2C9TSHR
SCHEMBL11511000 0.74 KCNA3 (0.37) SLC6A4HRH3SIGMAR1ALDH1A1
SCHEMBL8095037 0.74 HTR2C (0.40) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL20912965 0.74 HTR2C (0.40) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4452437 0.74 PBRM1 (0.35) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL8505129 0.73 KCNA3 (0.40) SLC6A4HRH3DRD2SLC7A5ALDH1A1

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-2008150231-A1 NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2008-12-11 WO claimed
WO-2008150231-A1 NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2008-12-11 WO disclosed