SCHEMBL4536116

SCHEMBL4536116

CN1CCN(C(=O)c2ccc(-c3ccc4c(c3)COC(C3CCN(C(=O)O)CC3)O4)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.43
HRH3 Q9Y5N1 6/20 0.40
ROCK2 O75116 1/20 0.39
MKNK1 Q9BUB5 6/20 0.39
MKNK2 Q9HBH9 6/20 0.39
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
POLB P06746 1/20 0.39
GRM5 P41594 1/20 0.39
HPGD P15428 1/20 0.38
EIF4E P06730 1/20 0.38

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
SCHEMBL4351323 0.91 HRH3 (0.45) HRH3MKNK1MKNK2GRM5HPGD
SCHEMBL4525904 0.91 HRH3 (0.40) STAT3HRH3BMPR1BBMPR1AACVRL1
SCHEMBL4532442 0.90 STAT3 (0.43) STAT3HRH3ROCK2MKNK1MKNK2
SCHEMBL4350001 0.89 SLC6A7 (0.46)
SCHEMBL4355704 0.89 RAB9A (0.46) STAT3HRH3ROCK2FLT3TYRO3
SCHEMBL4357683 0.89 POLB (0.48) ROCK2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL4354311 0.88 GPR119 (0.44) STAT3ROCK2
SCHEMBL4355713 0.88 SLC6A7 (0.44) STAT3
SCHEMBL4538191 0.85 TNKS (0.41) ROCK2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL4355595 0.83 POLB (0.54) POLBGRM5HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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