SCHEMBL4361256

SCHEMBL4361256

COc1ccc(CCC(=O)N2CCC(C3OCc4cc(-c5ccc(C(=O)N(C)C)cc5)ccc4O3)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.46
PDE5A O76074 2/20 0.38
GAA P10253 1/20 0.37
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
AIMP2 Q13155 1/20 0.35
EP300 Q09472 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
FKBP1A P62942 1/20 0.33

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
SCHEMBL4357646 0.89 FKBP1A (0.43) GAASMN1; SMN2KMT2AMEN1FKBP1A
SCHEMBL4364150 0.86 NAAA (0.35)
SCHEMBL4351462 0.83 HTR1A (0.40) KMT2AMEN1
SCHEMBL13586016 0.83 SMN1; SMN2 (0.43) GAASMN1; SMN2KMT2AMEN1
SCHEMBL4355465 0.82 HTR1A (0.35)
SCHEMBL4350045 0.81 MCHR1 (0.38)
SCHEMBL4351631 0.79 ALDH1A1 (0.40) SMN1; SMN2KMT2AMEN1
SCHEMBL4538463 0.78 NPY2R (0.39)
SCHEMBL4356423 0.78 TSHR (0.41) SMN1; SMN2KMT2AMEN1
SCHEMBL13586042 0.78 CYP3A4 (0.38) SMN1; 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 2 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