SCHEMBL1799232

SCHEMBL1799232

CCN(C(=O)C1CCN(C(=O)c2ccc(OC)cc2)c2ccccc21)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
P2RY1 P47900 2/20 0.42
POLB P06746 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KCNA5 P22460 1/20 0.39
DRD3 P35462 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
DRD2 P14416 1/20 0.39
NPC1 O15118 1/20 0.39
CYP2D6 P10635 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL12617577 1.00 MGLL (0.45) MGLLSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL1797987 0.90 MGLL (0.41) MGLLMEN1KMT2APOLBDRD2
SCHEMBL1799186 0.83 PTGDR2 (0.54) MEN1KMT2AP2RY1POLBLMNA
SCHEMBL1801522 0.83 PTGDR2 (0.54) MEN1KMT2AP2RY1POLBLMNA
SCHEMBL1801191 0.83 PTGDR2 (0.54) MEN1KMT2AP2RY1POLBLMNA
SCHEMBL1800914 0.78 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL12618154 0.78 PTGDR2 (0.53) MEN1KMT2AP2RY1POLBLMNA
SCHEMBL1797600 0.78 PTGDR2 (0.53) MEN1KMT2AP2RY1POLBLMNA
SCHEMBL1799871 0.77 PTGDR2 (0.59) MEN1KMT2AP2RY1
SCHEMBL1799873 0.77 PTGDR2 (0.59) MEN1KMT2AP2RY1

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
US-7951950-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed