SCHEMBL4430893

SCHEMBL4430893

CCOC(=O)ON1CCc2sccc2[C@H](O)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HHAT Q5VTY9 9/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
DRD1 P21728 1/20 0.34
POLB P06746 1/20 0.34
LHCGR P22888 1/20 0.34

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
SCHEMBL4431768 0.86 HHAT (0.38) HHATKDM4EALDH1A1POLBLHCGR
SCHEMBL2994360 0.81 SMN1; SMN2 (0.42) HHATKDM4EALDH1A1POLB
SCHEMBL2994354 0.81 SMN1; SMN2 (0.42) HHATKDM4EALDH1A1POLB
SCHEMBL2994358 0.81 SMN1; SMN2 (0.42) HHATKDM4EALDH1A1POLB
SCHEMBL4440748 0.74 NOS3 (0.35) KDM4EALDH1A1POLB
SCHEMBL2836553 0.72 GRIN2B (0.41) HHAT
SCHEMBL1181974 0.71 NOS3 (0.43) HHATALDH1A1POLB
SCHEMBL1181699 0.71 NOS3 (0.43) HHATALDH1A1POLB
SCHEMBL1181973 0.71 NOS3 (0.43) HHATALDH1A1POLB
SCHEMBL3004323 0.70 NOS3 (0.42) HHATKDM4EALDH1A1POLB

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