SCHEMBL5170387

SCHEMBL5170387

CC(C)(C)N(C(=O)O)[C@@H]1CCN(Cc2ccccc2F)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ POLB P06746 3/20 0.48
▸ CCR5 P51681 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL1921304 0.93 SIGMAR1 (0.53) MEN1KMT2AALDH1A1MAPK1SIGMAR1
SCHEMBL5170792 0.87 ALDH1A1 (0.52) MEN1KMT2AALDH1A1NPSR1ATM
SCHEMBL1307812 0.84 OPRM1 (0.55) ALDH1A1SIGMAR1KDM4E
SCHEMBL20544083 0.77 KDM4E (0.55) MEN1KMT2AALDH1A1KDM4E
SCHEMBL20544081 0.77 KDM4E (0.55) MEN1KMT2AALDH1A1KDM4E
SCHEMBL5171694 0.77 OPRM1 (0.57) SIGMAR1
SCHEMBL1306000 0.76 OPRM1 (0.61) SIGMAR1
SCHEMBL19652134 0.76 CCR5 (0.52) MEN1KMT2AALDH1A1MAPK1SIGMAR1
SCHEMBL10367448 0.76 OPRM1 (0.49) MEN1KMT2ASIGMAR1
SCHEMBL17076150 0.76 MEN1 (0.52) MEN1KMT2AALDH1A1POLBL3MBTL1

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
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 — — EP disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 — — WO disclosed
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