SCHEMBL460321

SCHEMBL460321

COc1nc([C@]2(NC(=O)O)CNC[C@@H]2c2cc(F)ccc2F)ncc1O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
ABL1 P00519 2/20 0.31
NTRK1 P04629 3/20 0.31
JAK2 O60674 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
MLNR O43193 1/20 0.30
HRH2 P25021 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL459878 0.84 HCAR2 (0.32) NTRK1JAK2
SCHEMBL457509 0.80 NTRK1 (0.33) MEN1KMT2AATMABL1NTRK1
SCHEMBL457723 0.73 NTRK1 (0.34) MEN1KMT2AATMNTRK1JAK2
SCHEMBL459071 0.70 NTRK1 (0.33) MEN1KMT2ANTRK1
SCHEMBL18914461 0.59 TP53 (0.39) KCNH2
SCHEMBL13858631 0.56 KDM1A (0.44) NTRK1JAK2KCNH2
SCHEMBL7887451 0.56 NR1I2 (0.55) MEN1KMT2AATMKCNH2
SCHEMBL5680300 0.56 MEN1 (0.39) MEN1KMT2AATMNTRK1JAK2
SCHEMBL23327795 0.54 POLQ (0.38) BACE1ABL1
SCHEMBL11658820 0.54 RXFP1 (0.37) MEN1KMT2AATMNTRK1

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed