SCHEMBL4440748

SCHEMBL4440748

CCOC(=O)ON1CCc2sccc2C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
GAA P10253 1/20 0.33
KEAP1 Q14145 1/20 0.33
HTR2C P28335 3/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL985894 0.81 NOS3 (0.44) NOS3NOS1NOS2HSD17B10SMN1; SMN2
SCHEMBL985531 0.78 PIN1 (0.41) HSD17B10SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4430893 0.74 HHAT (0.38) ALDH1A1POLBKDM4E
SCHEMBL7782039 0.73 ALDH1A1 (0.40) HSD17B10SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4751608 0.73 MAPT (0.44) NOS3NOS1NOS2HSD17B10SMN1; SMN2
SCHEMBL1425864 0.73 KDM4E (0.46) NOS3NOS1NOS2HSD17B10SMN1; SMN2
SCHEMBL4431768 0.72 HHAT (0.38) ALDH1A1POLBKDM4EMAPK1
SCHEMBL1181750 0.71 DRD1 (0.37) NOS3NOS1NOS2HSD17B10SMN1; SMN2
SCHEMBL1181747 0.71 DRD1 (0.37) NOS3NOS1NOS2HSD17B10SMN1; SMN2
SCHEMBL1181745 0.71 DRD1 (0.37) NOS3NOS1NOS2HSD17B10SMN1; SMN2

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-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
EP-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 EP disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 WO disclosed