SCHEMBL4751301

SCHEMBL4751301

CC(C)(C)OC(=O)NCC1CCC(C(=O)N[C@@H](Cc2ccccc2)c2cncc(Br)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F11 P03951 9/20 0.55
ATM Q13315 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.53
NPY5R Q15761 1/20 0.47
KLKB1 P03952 1/20 0.44
ACACB O00763 4/20 0.43
ACACA Q13085 3/20 0.43

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
SCHEMBL2106686 1.00 F11 (0.55) F11ATMKMT2AMEN1NPY5R
SCHEMBL2106688 1.00 F11 (0.55) F11ATMKMT2AMEN1NPY5R
SCHEMBL3177393 0.91 ATM (0.58) F11ATMKMT2AMEN1ACACB
SCHEMBL2106191 0.90 F11 (0.69) F11ATMKMT2AMEN1KLKB1
SCHEMBL2106189 0.90 F11 (0.69) F11ATMKMT2AMEN1KLKB1
SCHEMBL3159727 0.89 ATM (0.56) F11ATMKMT2AMEN1NPY5R
SCHEMBL3159697 0.89 ATM (0.56) F11ATMKMT2AMEN1NPY5R
SCHEMBL13524378 0.89 ATM (0.56) F11ATMKMT2AMEN1NPY5R
SCHEMBL3166877 0.89 ATM (0.56) F11ATMKMT2AMEN1NPY5R
SCHEMBL2107347 0.84 F11 (0.77) F11ATMKMT2AMEN1NPY5R

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-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 EP disclosed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed