SCHEMBL13066487

SCHEMBL13066487

C=C(C)C1(CNc2nccc3ccccc23)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
FDPS P14324 1/20 0.39
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
HRH4 Q9H3N8 4/20 0.36
ADRA1A P35348 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP2A6 P11509 1/20 0.36
KCNH2 Q12809 1/20 0.34
EGFR P00533 1/20 0.34
DRD4 P21917 1/20 0.34
RAB9A P51151 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CNR2 P34972 1/20 0.33
QPCT Q16769 1/20 0.33
F12 P00748 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL2861506 0.99 USP30 (0.38) USP30FDPSDRD2DRD3HRH4
SCHEMBL2867705 0.74 KDM4E (0.56) USP30SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL2879234 0.73 CNR2 (0.42) FDPSDRD2DRD3CYP2A6DRD4
SCHEMBL2861663 0.72 KDM4E (0.49) USP30FDPSDRD2DRD3HRH4
SCHEMBL2867553 0.71 SLC6A3 (0.48) USP30FDPSDRD2DRD3HRH4
SCHEMBL28662752 0.70 UTS2R (0.54) USP30FDPSDRD2DRD3HRH4
SCHEMBL12933395 0.69 CYP2A6 (0.46) USP30FDPSDRD2DRD3HRH4
SCHEMBL2858169 0.68 SLC6A4 (0.54) USP30DRD2DRD3HRH4ADRA1A
SCHEMBL13066976 0.68 SLC6A4 (0.44) USP30FDPSDRD2DRD3HRH4
SCHEMBL14491593 0.68 SLC6A4 (0.44) USP30FDPSDRD2DRD3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed