SCHEMBL2732464

SCHEMBL2732464

O=C(O)N1CCC(Oc2ccc(COc3ccc(CC4COS(=O)OC4)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
FAAH O00519 2/20 0.39
ACACB O00763 2/20 0.39
LMNA P02545 1/20 0.39
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
MCHR1 Q99705 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CHRM2 P08172 1/20 0.37
FFAR1 O14842 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37

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
SCHEMBL2716743 0.94 EPHX2 (0.41) LMNAMCHR1MEN1POLBKMT2A
SCHEMBL2719056 0.88 HRH3 (0.44) FAAHACACBLMNAKDM1ARCOR1
SCHEMBL2716911 0.87 GPR119 (0.50)
SCHEMBL2716908 0.87 GPR119 (0.50)
SCHEMBL15233989 0.84 ACACB (0.37) LTB4RLTB4R2ACACBLMNAKDM1A
SCHEMBL15233988 0.84 ACACB (0.37) LTB4RLTB4R2ACACBLMNAKDM1A
SCHEMBL19610351 0.80 FAAH (0.52) FAAHACACBLMNAMCHR1TP53
SCHEMBL2730735 0.80 GPR119 (0.53) TP53HRH3
SCHEMBL2730737 0.80 GPR119 (0.53) TP53HRH3
SCHEMBL3703122 0.80 GPR119 (0.53) TP53HRH3

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-2445904-A1 NOVEL GPR 119 AGONISTS Cadila Healthcare Limited (IN) 2012-05-02 EP disclosed
WO-2010146605-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2010-12-23 WO disclosed