SCHEMBL4751946

SCHEMBL4751946

O=C(O)N1CCc2sccc2[C@@H](O)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HHAT Q5VTY9 5/20 0.45
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LHCGR P22888 2/20 0.38
GRIN2B Q13224 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL3307502 1.00 HHAT (0.45) HHATKMT2AMAPK1NPSR1LHCGR
SCHEMBL3307496 1.00 HHAT (0.45) HHATKMT2AMAPK1NPSR1LHCGR
SCHEMBL4751291 0.84 HHAT (0.38) HHATMAPK1NPSR1LHCGRGRIN2B
SCHEMBL2994354 0.80 SMN1; SMN2 (0.42) HHAT
SCHEMBL2994360 0.80 SMN1; SMN2 (0.42) HHAT
SCHEMBL2994358 0.80 SMN1; SMN2 (0.42) HHAT
SCHEMBL3302736 0.80 HHAT (0.44) HHATKMT2AMAPK1NPSR1LHCGR
SCHEMBL2836823 0.76 DRD1 (0.41) HHATKMT2AMAPK1NPSR1GRIN2B
SCHEMBL19722754 0.73 NPC1 (0.38) HHATMAPK1NPSR1GRIN2B
SCHEMBL14970374 0.73 HHAT (0.43) HHATMAPK1NPSR1

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