SCHEMBL9474332

SCHEMBL9474332

CCN(CC)CC#CCN

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPY2R P49146 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
KCNH2 Q12809 6/20 0.32
KDM4E B2RXH2 1/20 0.32

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 SCHEMBL8847783 0.97 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10257125 0.85 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17188620 0.82
SCHEMBL14085286 0.81 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2369753 0.77
SCHEMBL937076 0.77 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3989603 0.74
Hydrochloric Acid SCHEMBL8847543 0.74
Hydrochloric Acid SCHEMBL2396670 0.74 RAB9A (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30902061 0.74 CHRM2 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5192779-A Substituted-acetamide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-09 US disclosed
US-5066680-A NOVEL SUBSTITUTED-ACETAMIDE COMPOUND AND A PROCESS FOR THE PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-19 US disclosed
EP-0383256-A2 A novel substituted-acetamide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-08-22 EP disclosed
US-4018786-A HYPOCHOLESTEROLEMIC CENTRE D'ETUDES POUR L'INDUSTRIE PHARMACEUTIQUE (FR) 1977-04-19 US disclosed