SCHEMBL4084407

SCHEMBL4084407

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCN(C(=O)O)CC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRL1 P41146 3/20 0.38
EPHX2 P34913 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
SCHEMBL4085357 0.87 L3MBTL1 (0.38) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL206832 0.87 EPHX2 (0.45) ALDH1A1KMT2AMEN1EPHX2
SCHEMBL207812 0.86 MAPT (0.48) ALDH1A1KMT2AMEN1POLB
SCHEMBL206771 0.86 AR (0.46)
SCHEMBL205977 0.85 L3MBTL1 (0.39) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL205941 0.85 MEN1 (0.42) ALDH1A1KMT2AMEN1
SCHEMBL206085 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1POLB
SCHEMBL209123 0.85 GFER (0.54) L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL206152 0.85 POLB (0.37) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL208978 0.85 RAB9A (0.48) ALDH1A1KMT2AMEN1POLB

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
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed