SCHEMBL9212476

SCHEMBL9212476

CN1CCC2=CC(=O)CCC2C1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35

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
SCHEMBL18179840 0.74 TLR4 (0.42) HTR2A
SCHEMBL10975419 0.74
SCHEMBL39899 0.70 MAPT (0.44)
SCHEMBL11181948 0.69 TLR4 (0.47)
SCHEMBL274509 0.67 DRD2 (0.51)
SCHEMBL5201714 0.67 TLR4 (0.55)
SCHEMBL9924735 0.67 TLR4 (0.42)
SCHEMBL5684775 0.65 TLR4 (0.47)
SCHEMBL296381 0.65 TLR4 (0.35)
SCHEMBL14112201 0.64 TLR4 (0.40)

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-0375210-B1 Pyrazoloisoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LTD (GB) 1995-05-03 EP disclosed
US-4963558-A NEUROLEPIC AGENT, SEDATIVES LILLY INDUSTRIES LIMITED (GB) 1990-10-16 US disclosed
EP-0375210-A1 Pyrazoloisoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1990-06-27 EP disclosed