SCHEMBL4525904

SCHEMBL4525904

O=C(O)N1CCC(C2OCc3cc(-c4ccc(C(=O)N5CCN(CCO)CC5)cn4)ccc3O2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.40
STAT3 P40763 2/20 0.38
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
TNKS O95271 1/20 0.35
NAMPT P43490 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
MET P08581 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL4536116 0.91 STAT3 (0.43) HRH3STAT3BMPR1BBMPR1AACVRL1
SCHEMBL4351360 0.89 GPR119 (0.42) HRH3STAT3GPR119
SCHEMBL4351323 0.88 HRH3 (0.45) HRH3ALDH1A1
SCHEMBL4350001 0.85 SLC6A7 (0.46) ALDH1A1
SCHEMBL4355704 0.82 RAB9A (0.46) HRH3STAT3ALDH1A1POLB
SCHEMBL4532442 0.81 STAT3 (0.43) HRH3STAT3BMPR1BBMPR1AACVRL1
SCHEMBL4357683 0.80 POLB (0.48) BMPR1BBMPR1AACVRL1ACVR1TNKS
SCHEMBL4354311 0.80 GPR119 (0.44) STAT3GPR119
SCHEMBL4354257 0.80 ROCK2 (0.40) GPR119PIK3CAMTOR
SCHEMBL4355713 0.80 SLC6A7 (0.44) STAT3ALDH1A1GPR119

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