SCHEMBL8557511

SCHEMBL8557511

COC(=O)c1ncc(C23CCCN(CC2)C3)o1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.34
DDB1 Q16531 2/20 0.34
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8557098 0.74 HCRTR1 (0.31)
SCHEMBL8558951 0.72 NOTUM (0.33)
SCHEMBL8557378 0.69
Hydrochloric Acid SCHEMBL8556205 0.69
Oxalic Acid SCHEMBL9049301 0.65 ACE2 (0.30)
Hydrochloric Acid SCHEMBL9704642 0.64 CHRM2 (0.33)
SCHEMBL2141020 0.63 MAPK1 (0.43) HSD17B10
Oxalic Acid SCHEMBL9049924 0.62 ALDH1A1 (0.31)
Oxalic Acid SCHEMBL9703375 0.62 PDK2 (0.35)
SCHEMBL23860306 0.62 FAAH (0.40) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366304-B1 Heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1998-04-15 EP claimed
US-5166357-A Nitrogen heterocylic compounds used in treatment of dementia in mammals BEECHAM GROUP P.L.C. (GB) 1992-11-24 US claimed
EP-0366304-A2 Heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-05-02 EP claimed
EP-0366304-B1 Heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1998-04-15 EP disclosed
US-5166357-A Nitrogen heterocylic compounds used in treatment of dementia in mammals BEECHAM GROUP P.L.C. (GB) 1992-11-24 US disclosed
EP-0366304-A2 Heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-05-02 EP disclosed