SCHEMBL11114473

SCHEMBL11114473

CCC(C)C(O)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
OPRD1 P41143 5/20 0.34
SIGMAR1 Q99720 2/20 0.33
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
TSHR P16473 1/20 0.31
OPRM1 P35372 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DPP4 P27487 2/20 0.30
DPP7 Q9UHL4 2/20 0.30
DPP8 Q6V1X1 1/20 0.30

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
Hydrochloric Acid SCHEMBL3654110 0.79 SMN1; SMN2 (0.36) SMN1; SMN2CHRM5CHRM3OPRD1SIGMAR1
SCHEMBL6064750 0.78 MEN1 (0.34) SMN1; SMN2CHRM5CHRM3CHRM4CHRM1
SCHEMBL10237646 0.78 SLC6A2 (0.33) SMN1; SMN2CHRM5CHRM3OPRD1SIGMAR1
SCHEMBL5779140 0.78 SMN1; SMN2 (0.36) SMN1; SMN2CHRM5CHRM3OPRD1SIGMAR1
SCHEMBL9735269 0.78 SMN1; SMN2 (0.36) SMN1; SMN2CHRM5CHRM3OPRD1SIGMAR1
SCHEMBL23547193 0.78 SMN1; SMN2 (0.36) SMN1; SMN2CHRM5CHRM3OPRD1SIGMAR1
SCHEMBL10536758 0.77 MEN1 (0.39) SMN1; SMN2OPRD1SLC6A2SLC6A4MEN1
SCHEMBL20467165 0.76 CYP1A2 (0.39) TSHR
SCHEMBL431808 0.76 OPRD1 (0.36) SMN1; SMN2CHRM5CHRM3OPRD1SIGMAR1
Propane SCHEMBL3983224 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CHRM5CHRM3OPRD1SIGMAR1

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-4455168-A CONTAINING A HETEROCYCLIC, HYDROXY AMINE OR AMIDE RICOH COMPANY, LTD. (JP) 1984-06-19 US disclosed