SCHEMBL8418596

SCHEMBL8418596

CCN(CC(N)=O)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 2/20 0.30
HIF1A Q16665 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL14577491 0.89 CA1 (0.44) CA12CA1CA2CA9CYP1A2
SCHEMBL8415770 0.83 CA1 (0.33) CA12CA1CA2CA9CHRM2
SCHEMBL22212238 0.83 CA12 (0.38) CA12CA1CA2CA9CYP1A2
SCHEMBL177796 0.81
SCHEMBL18902827 0.81 CHRM2 (0.39) CA12CA1CA9CHRM2CHRM4
SCHEMBL10283828 0.80 TDP1 (0.44) CA12CA1CA2CA9CHRM2
Hydrochloric Acid SCHEMBL3453649 0.79 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15333132 0.78 CA12 (0.36) CA12CA1CA2CA9
Lactic Acid SCHEMBL30111592 0.77 TP53 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21653888 0.77 CA12 (0.43) CA12CA1CA2CA9CHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790886-B1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2024-06-26 EP disclosed
EP-0714885-B1 Preparation process of aminoacetamide derivative EISAI CO LTD (JP) 1999-09-01 EP disclosed
EP-0714885-A2 Preparation process of aminoacetamide derivative EISAI CHEMICAL CO., LTD. (JP) 1996-06-05 EP disclosed