SCHEMBL27778357

SCHEMBL27778357

CC(C)(C)C(=O)ON1CCC[C@@H](C(=O)c2cc(F)cc(Cl)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 8/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
PDE2A O00408 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL27778359 0.83 KMT2A (0.52) KDM2BMEN1KMT2AALDH1A1
SCHEMBL4079510 0.81 KDM2B (0.44) KDM2BMEN1KMT2AALDH1A1TAS1R3
SCHEMBL2321941 0.80 MEN1 (0.50) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL1857032 0.80 MEN1 (0.50) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL27751800 0.78 ALDH1A1 (0.49) KDM2BMEN1KMT2AALDH1A1
SCHEMBL27689722 0.78 ALDH1A1 (0.49) KDM2BMEN1KMT2AALDH1A1
SCHEMBL27778356 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1
SCHEMBL27778358 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1
SCHEMBL28083389 0.76 KDM2B (0.42) KDM2BALDH1A1
SCHEMBL3968256 0.76 ALDH1A1 (0.48) KDM2BMEN1KMT2AALDH1A1PDE2A

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
CN-101528723-B Renin inhibitors VITAE PHARMACEUTICALS INC 2013-04-10 CN disclosed
CN-101528723-A Renin inhibitors VITAE PHARMACEUTICALS INC (US) 2009-09-09 CN disclosed