SCHEMBL6624953

SCHEMBL6624953

CCCN(C=O)CCN1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
SCN1A P35498 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
USP2 O75604 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
SCHEMBL9033244 0.88 MMP3 (0.38) ALDH1A1MAPK1SIGMAR1CYP1A2CHRM2
SCHEMBL6608168 0.82 SMN1; SMN2 (0.53) ALDH1A1SIGMAR1HRH3SMN1; SMN2CA12
SCHEMBL6446184 0.77 GLA (0.40) ALDH1A1GLASMN1; SMN2KEAP1KDM4E
SCHEMBL14300251 0.74 ALDH1A1 (0.41) ALDH1A1MAPK1SIGMAR1CYP1A2CHRM2
SCHEMBL23223379 0.73 SIGMAR1 (0.40) ALDH1A1MAPK1SIGMAR1CYP1A2CHRM2
SCHEMBL7395028 0.73 SMN1; SMN2 (0.46) ALDH1A1TSHRGLASMN1; SMN2USP2
SCHEMBL27660398 0.73 SMN1; SMN2 (0.44) ALDH1A1MAPK1GLASMN1; SMN2LMNA
SCHEMBL2916 0.72
SCHEMBL25452781 0.71 GLA (0.37) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL24937717 0.70 SMN1; SMN2 (0.40) ALDH1A1TSHRGLASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444201-A1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-08-11 EP disclosed
WO-2003043981-A1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-30 WO disclosed