SCHEMBL6688959

SCHEMBL6688959

NCCc1cc(F)cc(N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.46
PLAU P00749 1/20 0.42
AGXT P21549 1/20 0.42
NOS2 P35228 1/20 0.41
PIK3CA P42336 7/20 0.40
AKT1 P31749 6/20 0.40
MTOR P42345 4/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LGMN Q99538 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36

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
SCHEMBL27885766 0.84 GPR183 (0.44) GPR183PLAUAGXTNOS2PIK3CA
SCHEMBL29866545 0.81 GPR183 (0.43) GPR183PLAUAGXTPIK3CAAKT1
SCHEMBL672007 0.81 GPR183 (0.43) GPR183PLAUAGXTPIK3CAAKT1
SCHEMBL1662765 0.81 GPR183 (0.45) GPR183PLAUAGXTPIK3CAAKT1
SCHEMBL12831239 0.81 KDM4E (0.44) GPR183PLAUAGXTPIK3CAAKT1
SCHEMBL23662602 0.81 GPR183 (0.43) GPR183PLAUAGXTPIK3CAAKT1
SCHEMBL3508314 0.79 KDM4E (0.50) GPR183PIK3CAKDM4ERAB9ASMN1; SMN2
SCHEMBL6629681 0.78 GPR183 (0.44) GPR183PLAUAGXTPIK3CAAKT1
SCHEMBL23662642 0.77 GPR183 (0.43) GPR183PLAUAGXTPIK3CAAKT1
SCHEMBL2187269 0.76 SLC13A5 (0.49) AGXTTAAR1KDM4ERAB9ASMN1; SMN2

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
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed