SCHEMBL4356423

SCHEMBL4356423

CN(C)C(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC2)O3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
PKM P14618 1/20 0.40
HPGD P15428 3/20 0.40
HSD11B1 P28845 1/20 0.40
HTR1A P08908 1/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
SLC9A1 P19634 1/20 0.36
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4538463 0.86 NPY2R (0.39) TSHRHTR1ASLC9A1ALDH1A1LMNA
SCHEMBL4351462 0.82 HTR1A (0.40) TSHRHTR1AKMT2AMEN1ALDH1A1
SCHEMBL4355465 0.81 HTR1A (0.35) TSHRHTR1ASLC9A1ALDH1A1LMNA
SCHEMBL4360506 0.81 GPR119 (0.47)
SCHEMBL13586047 0.81 CYP1A2 (0.43) TSHRHPGDHTR1AALDH1A1LMNA
SCHEMBL13586042 0.80 CYP3A4 (0.38) TSHRHTR1ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL4351631 0.79 ALDH1A1 (0.40) TSHRHSD11B1HTR1AKMT2AMEN1
SCHEMBL4361256 0.78 OPRD1 (0.46) KMT2AMEN1SMN1; SMN2
SCHEMBL4353770 0.78 NPY2R (0.42) HTR1AALDH1A1
SCHEMBL4364150 0.78 NAAA (0.35) HPGDHTR1AALDH1A1

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