SCHEMBL3822100

SCHEMBL3822100

CCN(CC)c1ccc(CN(C(=O)C(Cc2ccccc2)N(C)C)c2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.51
CNR1 P21554 4/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
LTB4R2 Q9NPC1 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
GRIA2 P42262 1/20 0.40

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
SCHEMBL8189715 1.00 CNR2 (0.51) CNR2CNR1MEN1KMT2ATDP1
SCHEMBL3823354 0.87 CACNA1H (0.40) CNR2CNR1MEN1KMT2ATDP1
SCHEMBL3820052 0.87 CACNA1H (0.40) CNR2CNR1MEN1KMT2ATDP1
SCHEMBL3819794 0.86 ATM (0.42) CNR2CNR1TDP1LTB4R2
SCHEMBL8176408 0.86 ATM (0.42) CNR2CNR1TDP1LTB4R2
SCHEMBL3819194 0.80 ATM (0.40) MEN1KMT2A
SCHEMBL8187625 0.79 TDP1 (0.40) MEN1KMT2ATDP1LTB4R2
SCHEMBL3818460 0.79 ALDH1A1 (0.37) TDP1LTB4R2
SCHEMBL3819264 0.74 FFAR2 (0.35)
SCHEMBL3058165 0.72 CNR2 (0.51) CNR2CNR1LTB4R2

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-2091917-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-08-26 EP claimed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed