SCHEMBL2566646

SCHEMBL2566646

CN1CCc2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)Oc3ccc(Cl)s3)cc2CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MMP1 P03956 1/20 0.40
PTPRB P23467 1/20 0.40
LMNA P02545 1/20 0.40
KDM1A O60341 6/20 0.40
MAOA P21397 4/20 0.40
RCOR1 Q9UKL0 3/20 0.40
KDM1B Q8NB78 1/20 0.40
TSHR P16473 1/20 0.40
ITGB1 P05556 3/20 0.39
ITGA4 P13612 3/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN9A Q15858 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL2568203 0.92 ITGB1 (0.41) MAPTMMP1ITGB1ITGA4
SCHEMBL2566181 0.91 MMP1 (0.41) MMP1LMNAPOLBKMT2A
SCHEMBL2568816 0.90 ROCK2 (0.43) MAPTMMP1LMNATSHRMEN1
SCHEMBL2566636 0.90 S1PR1 (0.44) MMP1
SCHEMBL2567935 0.89 KMT2A (0.37) LMNAPOLBMEN1KMT2A
SCHEMBL2568964 0.89 CA12 (0.39) MAPT
SCHEMBL2572104 0.89 CCKBR (0.38)
SCHEMBL2569493 0.88 PSEN1 (0.41) KDM1AMAOARCOR1KDM1BMAOB
SCHEMBL2569439 0.88 CYP2C9 (0.45) MAPTLMNATSHRMEN1KMT2A
SCHEMBL2569290 0.88 F10 (0.45)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP claimed
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed