SCHEMBL7910472

SCHEMBL7910472

O=C(NC1Cc2ccccc2C1O)C1(Cc2ccccc2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 4/20 0.41
SSTR1 P30872 3/20 0.41
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
PYGL P06737 2/20 0.39
SMYD3 Q9H7B4 1/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.37
CNR1 P21554 3/20 0.37
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
MMP9 P14780 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
SCHEMBL7922905 0.81 MME (0.48) SSTR4SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL7921872 0.79 EPHX2 (0.50) SLC6A2SLC6A4SLC6A3SMYD3MMP9
SCHEMBL7919565 0.79 EPHX2 (0.50) SLC6A2SLC6A4SLC6A3SMYD3MMP9
SCHEMBL7919569 0.76 MTNR1A (0.49) SLC6A2SLC6A4SLC6A3SMYD3
SCHEMBL7919878 0.75 EPHX1 (0.50) SSTR4SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL19200342 0.74 MAPT (0.54) PYGLMAPK1CNR1
SCHEMBL4375995 0.73 SLC6A2 (0.50) SSTR4SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL2172656 0.72 ATM (0.57) SLC6A2SLC6A4SLC6A3ATMCYP2D6
SCHEMBL1919144 0.70 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3SMYD3ATM
SCHEMBL4372327 0.70 SLC6A2 (0.47) SSTR4SSTR1SLC6A2SLC6A4SLC6A3

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
WO-2010054968-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed