SCHEMBL12101321

SCHEMBL12101321

Bc1ccc(NC(=O)N2CC(OC)C[C@@H]2C(=O)Nc2ccc3c(c2)CCN(C)C3)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.44
CFD P00746 2/20 0.39
KLKB1 P03952 1/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ROCK2 O75116 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL15436220 0.97 F10 (0.46) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL8230614 0.92 F10 (0.48) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL12101317 0.92 F10 (0.48) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL8222130 0.90 F10 (0.44) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL13104222 0.90 F10 (0.44) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL8224894 0.90 F10 (0.44) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL12101413 0.90 F10 (0.43) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL8224896 0.90 F10 (0.46) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL13104224 0.90 F10 (0.46) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL12371450 0.87 F10 (0.46) F10CFDKLKB1HCRTR1HCRTR2

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
EP-2051975-B1 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed