SCHEMBL4351323

SCHEMBL4351323

O=C(O)N1CCC(C2OCc3cc(-c4ccc(C(=O)N5CCOCC5)cn4)ccc3O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GRM5 P41594 1/20 0.39
CYP11B2 P19099 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
FGFR3 P22607 1/20 0.37
ADRA1A P35348 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

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) HRH3GRM5HPGDMKNK1MKNK2
SCHEMBL4533028 0.89 HPGD (0.41) HRH3ALDH1A1HPGD
SCHEMBL4347903 0.88 GPR119 (0.44) HRH3
SCHEMBL4350001 0.88 SLC6A7 (0.46) ALDH1A1KDM4E
SCHEMBL4525904 0.88 HRH3 (0.40) HRH3ALDH1A1
SCHEMBL4540460 0.85 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1GRM5HPGDKDM4E
SCHEMBL4532442 0.81 STAT3 (0.43) HRH3HPGDMKNK1MKNK2
SCHEMBL4354257 0.81 ROCK2 (0.40)
SCHEMBL4355704 0.81 RAB9A (0.46) HRH3ALDH1A1HPGDKDM4ERAB9A
SCHEMBL4538479 0.80 GPR119 (0.41)

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