SCHEMBL1446545

SCHEMBL1446545

COC(=O)C1(CNC(=O)OCc2ccccc2)CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
KCNH2 Q12809 3/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR1 P32246 1/20 0.42
GAA P10253 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7841236 0.91 MEN1 (0.53) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL4297687 0.87 MEN1 (0.47) SMN1; SMN2HTTMEN1KMT2ANPC1
SCHEMBL25393509 0.81 SMN1; SMN2 (0.48) SMN1; SMN2LMNAKCNH2HTTCCR1
SCHEMBL5369952 0.81 LMNA (0.50) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL22389656 0.79 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTCCR1GAA
SCHEMBL6191239 0.79 MEN1 (0.48) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL3331774 0.78 CTSL (0.47) SMN1; SMN2LMNAKCNH2MEN1KMT2A
SCHEMBL1446859 0.77 MEN1 (0.48) HTTMEN1KMT2A
SCHEMBL25532258 0.77 LMNA (0.48) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL5629529 0.76 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTMEN1KMT2A

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-2297153-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009131940-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed