SCHEMBL27508476

SCHEMBL27508476

O=C1CCCN1CCOc1nsnc1-c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.52
CHRM4 P08173 2/20 0.52
CHRM5 P08912 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
PDK2 Q15119 4/20 0.42
POLB P06746 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PORCN Q9H237 2/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PTK2 Q05397 1/20 0.37

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
SCHEMBL27456332 0.95 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27548884 0.82 CHRM4 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27472225 0.79 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27456331 0.78 CHRM1 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4029522 0.75 CHRM1 (0.67) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7900617 0.75 CHRM1 (0.74) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7609678 0.74 CHRM1 (0.69) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7001657 0.73 MEN1 (0.51) MEN1KMT2AALDH1A1TSHRPDK2
SCHEMBL7617382 0.73 CHRM1 (0.71) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7616080 0.72 CHRM4 (0.71) CHRM2CHRM4CHRM5CHRM1CHRM3

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