SCHEMBL27469826

SCHEMBL27469826

CN1CCC=C(c2nsnc2Sc2ccncc2)C1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.66
CHRM4 P08173 4/20 0.66
CHRM2 P08172 1/20 0.66
CHRM5 P08912 1/20 0.66
CHRM3 P20309 1/20 0.66
SIGMAR1 Q99720 2/20 0.58

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
SCHEMBL7611490 0.82 CHRM1 (0.70) CHRM1CHRM4CHRM2CHRM5CHRM3
Pyridine SCHEMBL27471754 0.80 CHRM1 (0.82) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL27456329 0.79 CHRM1 (0.71) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL7469869 0.79 CHRM1 (0.72) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL27454630 0.77 CHRM1 (0.71) CHRM1CHRM4
Oxalic Acid SCHEMBL7615924 0.77 CHRM1 (0.61) CHRM1CHRM4
SCHEMBL6907655 0.76 CHRM1 (0.82) CHRM1CHRM4SIGMAR1
SCHEMBL7465142 0.76 CHRM1 (0.77) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL8196549 0.75 CHRM1 (1.00) CHRM1CHRM4SIGMAR1
SCHEMBL8196563 0.75 CHRM1 (1.00) CHRM1CHRM4SIGMAR1

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
CN-1133008-A Antipsychotic method NOVO NORDISK AS (DK) 1996-10-09 CN claimed