SCHEMBL8712229

SCHEMBL8712229

CN1CCC=C(c2nsnc2SCCCCCCCl)C1.SC1=NCCS1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.69
CHRM4 P08173 3/20 0.69
SIGMAR1 Q99720 1/20 0.60

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
SCHEMBL6914137 0.88 CHRM1 (0.88) CHRM1CHRM4SIGMAR1
SCHEMBL7609424 0.88 CHRM1 (0.88) CHRM1CHRM4SIGMAR1
SCHEMBL6940009 0.87 CHRM1 (0.88) CHRM1CHRM4SIGMAR1
SCHEMBL6915595 0.86 CHRM1 (0.88) CHRM1CHRM4SIGMAR1
SCHEMBL7613172 0.86 CHRM1 (0.79) CHRM1CHRM4SIGMAR1
SCHEMBL7613745 0.85 CHRM1 (0.79) CHRM1CHRM4SIGMAR1
SCHEMBL8189336 0.83 CHRM1 (1.00) CHRM1CHRM4SIGMAR1
SCHEMBL8189299 0.83 CHRM1 (1.00) CHRM1CHRM4SIGMAR1
Oxalic Acid SCHEMBL7617644 0.83 CHRM1 (0.78) CHRM1CHRM4
Oxalic Acid SCHEMBL7617251 0.83 CHRM1 (0.78) CHRM1CHRM4

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
US-5753683-A SCHIZOPHRENIA NOVO NORDISK A/S (DK) 1998-05-19 US disclosed