SCHEMBL4085357

SCHEMBL4085357

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MCHR1 Q99705 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4084407 0.87 L3MBTL1 (0.40) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL206832 0.84 EPHX2 (0.45) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4081367 0.81 EPHX2 (0.35) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL205941 0.81 MEN1 (0.42) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL206771 0.80 AR (0.46) TSHR
SCHEMBL207812 0.80 MAPT (0.48) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL205977 0.79 L3MBTL1 (0.39) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL206085 0.79 ALDH1A1 (0.48) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL209123 0.79 GFER (0.54) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL206152 0.79 POLB (0.37) L3MBTL1MEN1KMT2APOLBALDH1A1

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