SCHEMBL4350001

SCHEMBL4350001

O=C(O)N1CCC(C2OCc3cc(-c4ccc(C(=O)N5CCN(c6ncccn6)CC5)cn4)ccc3O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 18/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A3 Q01959 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4355713 0.91 SLC6A7 (0.44) SLC6A7ALDH1A1TSHRSLC6A3KDM4E
SCHEMBL4536116 0.89 STAT3 (0.43)
SCHEMBL4352666 0.89 GPR119 (0.49) SLC6A7ALDH1A1TSHR
SCHEMBL4351323 0.88 HRH3 (0.45) ALDH1A1KDM4E
SCHEMBL4525904 0.85 HRH3 (0.40) ALDH1A1
SCHEMBL4532442 0.80 STAT3 (0.43)
SCHEMBL4355704 0.79 RAB9A (0.46) ALDH1A1KDM4E
SCHEMBL4354311 0.78 GPR119 (0.44)
SCHEMBL4357683 0.78 POLB (0.48) ALDH1A1L3MBTL1
SCHEMBL4354257 0.78 ROCK2 (0.40)

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