SCHEMBL7049587

SCHEMBL7049587

COc1cc(C(=N)NC(=O)OC(C)(C)C)ccc1CNC(=O)[C@]1(C2CCCCC2)CCCN1C(=O)CN

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
NPC1L1 Q9UHC9 7/20 0.32
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL6487727 0.87 F2 (0.36) F2MEN1KMT2ALMNAEPHX2
SCHEMBL7049353 0.82 F2 (0.35) F2MEN1KMT2ALMNAEPHX2
SCHEMBL6477345 0.82 F2 (0.35) F2MEN1KMT2ALMNAEPHX2
Acetic Acid SCHEMBL6477043 0.81 NPC1L1 (0.32) F2LMNANPC1L1
SCHEMBL6487471 0.80 F2 (0.35) F2MEN1KMT2AMMP2MMP13
SCHEMBL8726018 0.80 F2 (0.33) F2MEN1KMT2AEPHX2
SCHEMBL7049734 0.80 NAMPT (0.37) F2MEN1KMT2ANPC1L1
SCHEMBL6476147 0.80 F2 (0.36) F2LMNA
SCHEMBL7048448 0.79 CNR1 (0.32) F2LMNANPC1L1
SCHEMBL7049344 0.78 JAK2 (0.39) EPHX2MMP2MMP13

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-0773955-B1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AG (DE) 2003-04-16 EP disclosed
WO-1995035309-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1995-12-28 WO disclosed