SCHEMBL8892931

SCHEMBL8892931

CC(N)CC=CC1=CN(C)CC=C1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.41

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
SCHEMBL3645265 0.77
SCHEMBL8500841 0.74
SCHEMBL8401874 0.66
SCHEMBL6455211 0.61
SCHEMBL9188946 0.60 HTR2A (0.48) HTR2A
SCHEMBL9188953 0.60 HTR2A (0.48) HTR2A
SCHEMBL7757592 0.59 KDM4E (0.33)
SCHEMBL19586953 0.59 HTR2A (1.00) HTR2A
SCHEMBL19586584 0.59 HTR2A (1.00) HTR2A
SCHEMBL19586755 0.59 HTR2A (1.00) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997040013-A1 METHOD FOR PREPARATION OF COMPOUNDS USEFUL FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1997-10-30 WO disclosed