SCHEMBL5501925

SCHEMBL5501925

CC(C(=O)Nc1ccccc1)C1CCNc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTR1E P28566 2/20 0.43
▸ S1PR3 Q99500 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ KLK7 P49862 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ JAK3 P52333 1/20 0.38

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
SCHEMBL6280001 0.80 F12 (0.43) —
SCHEMBL19457862 0.75 F12 (0.37) ALDH1A1
SCHEMBL13059131 0.74 AR (0.40) —
SCHEMBL24090522 0.74 AR (0.40) —
SCHEMBL18886131 0.74 AR (0.40) —
SCHEMBL4124529 0.73 EPHX2 (0.61) EPHX2MAPTMEN1KMT2AHTR1E
SCHEMBL29582859 0.72 EPHX2 (0.50) EPHX2MAPTMEN1KMT2AHTR1E
SCHEMBL6244927 0.71 SMN1; SMN2 (0.51) EPHX2MAPTMEN1KMT2ALMNA
SCHEMBL17075166 0.71 KDM1A (0.34) MEN1KMT2AALDH1A1GAA
SCHEMBL22050044 0.71 KDM1A (0.34) MEN1KMT2AALDH1A1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 — — EP claimed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 — — WO claimed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 — — EP disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 — — WO disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 — — EP disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 — — WO disclosed
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