SCHEMBL4749248

SCHEMBL4749248

CO[C@H]1CN(C(=O)O)CCc2sccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HHAT Q5VTY9 5/20 0.44
LHCGR P22888 5/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD1 P21728 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL3302736 1.00 HHAT (0.44) HHATLHCGRPOLBKMT2AMAPK1
SCHEMBL2992670 0.84 BRD4 (0.43) HHATNPSR1LMNA
SCHEMBL2992673 0.84 BRD4 (0.43) HHATNPSR1LMNA
SCHEMBL3307502 0.80 HHAT (0.45) HHATLHCGRKMT2AMAPK1NPSR1
SCHEMBL4751946 0.80 HHAT (0.45) HHATLHCGRKMT2AMAPK1NPSR1
SCHEMBL3307496 0.80 HHAT (0.45) HHATLHCGRKMT2AMAPK1NPSR1
SCHEMBL4751245 0.78 DRD2 (0.40) HHATLHCGRPOLBKMT2AMAPK1
SCHEMBL3304815 0.78 DRD2 (0.40) HHATLHCGRPOLBKMT2AMAPK1
SCHEMBL4431768 0.74 HHAT (0.38) HHATLHCGRPOLBMAPK1NPSR1
SCHEMBL17869460 0.72 NPC1 (0.31) KMT2A

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-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed