SCHEMBL4351738

SCHEMBL4351738

CCC(CC)C(=O)N1CCC(C2OCc3cc(-c4ccc(C(=O)N5CCN(C)CC5)nc4)ccc3O2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.38
MTOR P42345 2/20 0.35
PIK3CA P42336 2/20 0.35
GPR119 Q8TDV5 1/20 0.34
PDE7A Q13946 2/20 0.34
HTR2B P41595 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ROCK2 O75116 1/20 0.33
KCNH2 Q12809 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
FLT3 P36888 1/20 0.32
SLC8A1 P32418 2/20 0.32
NAMPT P43490 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
SCHEMBL4538191 0.88 TNKS (0.41) TNKSMTORPIK3CAGPR119PDE7A
SCHEMBL4348683 0.88 TNKS (0.41) TNKSMTORPIK3CAPDE7AHTR2B
SCHEMBL4355330 0.86 GPR119 (0.39) TNKSMTORPIK3CAGPR119PDE7A
SCHEMBL4355462 0.86 POLB (0.42) TNKSPIK3CAHTR2BKCNH2NPC1
SCHEMBL4362448 0.86 TNKS (0.44) TNKSMTORPIK3CAPDE7AHTR2B
SCHEMBL4355344 0.84 GPR119 (0.43) TNKSGPR119
SCHEMBL4540460 0.80 SMN1; SMN2 (0.43) MTORPIK3CAHTR2BNPC1RAB9A
SCHEMBL4353573 0.78 SMN1; SMN2 (0.41) MTORPIK3CAKCNH2NPC1RAB9A
SCHEMBL4521195 0.77 GPR119 (0.42) GPR119SMN1; SMN2
SCHEMBL4357683 0.75 POLB (0.48) TNKSGPR119ROCK2KCNH2SMN1; 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