SCHEMBL5593253

SCHEMBL5593253

CC(C)(C)N1CCC[C@@H](C(=O)c2cccc(F)c2OCC2CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 10/20 0.43
GAA P10253 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
RBP4 P02753 1/20 0.37
TTR P02766 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1869734 0.84 ALOX5AP (0.47) KDM2BGAARAB9AALDH1A1MEN1
SCHEMBL1869732 0.84 ALOX5AP (0.47) KDM2BGAARAB9AALDH1A1MEN1
SCHEMBL5507540 0.83 GAA (0.46) KDM2BGAARAB9AALDH1A1POLB
SCHEMBL5318682 0.78 KDM2B (0.49) KDM2BGAARAB9AALDH1A1KDM4E
SCHEMBL5593263 0.73 GRM5 (0.39) KDM2BGAARAB9AALDH1A1L3MBTL1
SCHEMBL3885007 0.73 GAA (0.38) KDM2BGAARAB9AALDH1A1KDM4E
SCHEMBL23835159 0.71 PARP10 (0.52)
SCHEMBL4975598 0.70 MEN1 (0.53) KDM2BALDH1A1KDM4EMEN1KMT2A
SCHEMBL5593562 0.70 REN (0.48)
SCHEMBL1866539 0.69 ALOX5AP (0.57) RAB9AL3MBTL1

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
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed