SCHEMBL9208317

SCHEMBL9208317

O=C(C1NCCc2sccc21)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HHAT Q5VTY9 1/20 0.36
OPRM1 P35372 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
PREP P48147 1/20 0.35
OPRD1 P41143 1/20 0.35
HDAC2 Q92769 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DRD3 P35462 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL9208832 0.99 GID4 (0.40) GID4L3MBTL1MAPTPKMHHAT
SCHEMBL9207161 0.79 TSHR (0.53) GID4L3MBTL1HHATNPSR1LMNA
Hydrochloric Acid SCHEMBL10489402 0.77 TSHR (0.55) GID4L3MBTL1HHATNPSR1LMNA
SCHEMBL15058181 0.77 GID4 (0.46) GID4L3MBTL1HHATMAPK1NPSR1
SCHEMBL4864502 0.75 GID4 (0.48) GID4L3MBTL1HHATNPSR1LMNA
Hydrochloric Acid SCHEMBL9789702 0.74 GID4 (0.47) GID4L3MBTL1HHATNPSR1LMNA
SCHEMBL9637825 0.73 GID4 (0.44) GID4OPRM1MAPK1NPSR1GAA
SCHEMBL9206816 0.71 GID4 (0.43) GID4L3MBTL1OPRM1OPRD1DRD3
SCHEMBL9789739 0.70 GID4 (0.43) GID4L3MBTL1HHATMAPK1NPSR1
SCHEMBL9209208 0.70 GID4 (0.42) GID4L3MBTL1OPRM1OPRD1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0333427-B1 Heterocyclic derivatives SMITHKLINE BEECHAM FARMA (IT) 1995-08-23 EP claimed
EP-0333427-A1 Heterocyclic derivatives Smithkline Beecham Farmaceutici S.p.A. (IT) 1989-09-20 EP claimed
EP-0333427-B1 Heterocyclic derivatives SMITHKLINE BEECHAM FARMA (IT) 1995-08-23 EP disclosed
US-5109008-A Analgesics, diuretics, antiischemic agents GLAXO GROUP LIMITED (GB) 1992-04-28 US disclosed
US-4999359-A Analgesics DR. LO ZAMBELETTI S.P.A. (IT) 1991-03-12 US disclosed
EP-0366327-A1 Furo- and thieno[3,2-c]pyridines and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1990-05-02 EP disclosed
EP-0333427-A1 Heterocyclic derivatives Smithkline Beecham Farmaceutici S.p.A. (IT) 1989-09-20 EP disclosed