SCHEMBL28291636

SCHEMBL28291636

CC(O)N1CCNCC1.[CaH2]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
OPRD1 P41143 5/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
CHKA P35790 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
SCHEMBL1889483 0.97
SCHEMBL8373239 0.97 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ACHRM5CHRM3
SCHEMBL13667433 0.97
SCHEMBL5617 0.97
Ethane SCHEMBL4260118 0.95 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ACHRM5CHRM3
SCHEMBL28661173 0.95 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ACHRM5CHRM3
Hydrochloric Acid SCHEMBL4078380 0.95 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ACHRM5CHRM3
Ammonia Solution, Strong SCHEMBL17509976 0.95 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ACHRM5CHRM3
Propane SCHEMBL3983224 0.90 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ACHRM5CHRM3
Alcohol SCHEMBL9343023 0.88 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ACHRM5CHRM3

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-109603930-A The controllable method for preparing of liposome vesicle based on micro fluidic device 上海大学 2019-04-12 CN disclosed