SCHEMBL4353425

SCHEMBL4353425

CNC(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)OCC4(C)CC4)CC2)O3)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 3/20 0.36
SCD O00767 1/20 0.36
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CRBN Q96SW2 1/20 0.34
GPR119 Q8TDV5 4/20 0.34
OTUD7B Q6GQQ9 2/20 0.34
SMYD3 Q9H7B4 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ENPP2 Q13822 1/20 0.33
P2RY12 Q9H244 1/20 0.33
NPY2R P49146 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4353651 0.92 KCNH2 (0.38) KCNH2HRH3ENPP2ALDH1A1SMN1; SMN2
SCHEMBL4350015 0.92 GPR119 (0.41) KCNH2HRH3GPR119P2RY12NPY2R
SCHEMBL4522943 0.91 ALDH1A1 (0.36) GPR119KDM4EALDH1A1
SCHEMBL4534628 0.91 GPR119 (0.40) GPR119
SCHEMBL4531625 0.91 ALDH1A1 (0.40) SCD5SCDKCNH2HRH3P2RY12
SCHEMBL4350129 0.90 KDM4E (0.37) GPR119KDM4EALDH1A1SMN1; SMN2
SCHEMBL4352065 0.90 ALDH1A1 (0.39) P2RY12KDM4EALDH1A1SMN1; SMN2
SCHEMBL4352709 0.89 HDAC1 (0.33) GPR119ENPP2P2RY12
SCHEMBL4348559 0.89 MAPK14 (0.37) GPR119KDM4EALDH1A1SMN1; SMN2
SCHEMBL4532899 0.89 KDM4E (0.36) GPR119ENPP2KDM4EALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO claimed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed