SCHEMBL2733875

SCHEMBL2733875

CC(C)(C)NC(=O)N1C[CH]CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
GRM5 P41594 2/20 0.35
GRM1 Q13255 1/20 0.35
CNR1 P21554 3/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
CNR2 P34972 1/20 0.35
P2RX4 Q99571 1/20 0.34
CSNK1E P49674 2/20 0.34
CSNK1D P48730 1/20 0.33
BCHE P06276 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL18169673 0.84 LMNA (0.48) LMNASMN1; SMN2GAANPC1RAB9A
SCHEMBL5255379 0.83 LMNA (0.47) LMNASMN1; SMN2GAANPC1RAB9A
SCHEMBL18726003 0.82 CSNK1E (0.34) LMNASMN1; SMN2GAACSNK1ERORC
SCHEMBL4204778 0.78
SCHEMBL18726006 0.77 GAA (0.55) LMNASMN1; SMN2GAACNR1KDM4E
SCHEMBL5803020 0.74 RIPK1 (0.39) LMNANPC1RAB9A
SCHEMBL2757925 0.73 LMNA (0.60) LMNASMN1; SMN2GAANPC1RAB9A
SCHEMBL28186001 0.73 LMNA (0.60) LMNASMN1; SMN2GAANPC1RAB9A
SCHEMBL25802126 0.72 LMNA (0.42) LMNASMN1; SMN2GAACNR1CSNK1E
SCHEMBL25799678 0.72 GRM5 (0.45) LMNASMN1; SMN2GAANPC1RAB9A

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-2632255-A1 DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058203-A1 DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed