SCHEMBL8550329

SCHEMBL8550329

Cc1oc2ccc(NC(=O)C3CCC3)cc2c1CCN(C)Cc1ccc2ccncc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRMT3 O60678 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
GSK3B P49841 1/20 0.37
GLA P06280 2/20 0.37
GBA1 P04062 2/20 0.36
ABL1 P00519 2/20 0.36
ROCK2 O75116 4/20 0.36
EGFR P00533 1/20 0.35
LCK P06239 1/20 0.35
CSF1R P07333 1/20 0.35
KDR P35968 1/20 0.35
ERBB4 Q15303 1/20 0.35
MAPK14 Q16539 1/20 0.35
ROCK1 Q13464 3/20 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
SCHEMBL6667543 0.87 HTR1F (0.44) ALDH1A1PRMT3GSK3BABL1
SCHEMBL8546411 0.87 ROCK2 (0.37) PRMT3ROCK2EGFRLCKCSF1R
SCHEMBL8191020 0.85 HTR1F (0.42) KDM4EALDH1A1GAASMN1; SMN2PRMT3
SCHEMBL8551238 0.80 ROCK1 (0.37) KDM4EALDH1A1GAASMN1; SMN2PRMT3
SCHEMBL8553305 0.79 SMN1; SMN2 (0.42) KDM4EALDH1A1GAASMN1; SMN2AAK1
SCHEMBL8550195 0.78 MEN1 (0.44) KDM4EALDH1A1GAASMN1; SMN2GLA
SCHEMBL8551309 0.76 RAB9A (0.48) KDM4EALDH1A1GAASMN1; SMN2GBA1
Acetic Acid SCHEMBL8548884 0.76 JAK2 (0.39) KDM4EALDH1A1GAASMN1; SMN2GLA
SCHEMBL8548082 0.75 MKNK1 (0.38) EGFRLCKCSF1RKDRERBB4
SCHEMBL8550531 0.75 EGFR (0.42) KDM4EALDH1A1GAASMN1; SMN2AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523294-A THERAPY FOR NERVOUS SYSTEM DISORDERS FIDIA S.P.A. (IT) 1996-06-04 US claimed
EP-0410881-A2 Semisynthetic ganglioside analogues FIDIA S.p.A. (IT) 1991-01-30 EP claimed
EP-0410883-A2 Di-lysogangliosides derivatives FIDIA S.p.A. (IT) 1991-01-30 EP claimed
EP-0410883-B1 Di-lysogangliosides derivatives FIDIA SPA (IT) 1999-03-31 EP disclosed
EP-0433112-B1 Modified gangliosides and the functional derivatives thereof FIDIA SPA (IT) 1998-10-28 EP disclosed
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed
EP-0410881-B1 Semisynthetic ganglioside analogues FIDIA SPA (IT) 1997-09-17 EP disclosed
US-5523294-A THERAPY FOR NERVOUS SYSTEM DISORDERS FIDIA S.P.A. (IT) 1996-06-04 US disclosed
US-5484775-A FOR INHIBITING GLUTAMATE-INDUCED NEUROTOXICITY FIDIA S.P.A. (IT) 1996-01-16 US disclosed
US-5424294-A Treating central and peripheral nervous system disorders FIDIA S.P.A. (IT) 1995-06-13 US disclosed
US-5264424-A Modified gangliosides and the functional derivatives thereof FIDIA S.P.A. (IT) 1993-11-23 US disclosed
EP-0433112-A1 Modified gangliosides and the functional derivatives thereof FIDIA S.p.A. (IT) 1991-06-19 EP disclosed
EP-0410881-A2 Semisynthetic ganglioside analogues FIDIA S.p.A. (IT) 1991-01-30 EP disclosed
EP-0410883-A2 Di-lysogangliosides derivatives FIDIA S.p.A. (IT) 1991-01-30 EP disclosed
EP-0373039-A2 New lysoganglioside derivatives FIDIA S.p.A. (IT) 1990-06-13 EP disclosed