SCHEMBL28637803

SCHEMBL28637803

NCCOC(=O)NN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30
TPSG1 Q9NRR2 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
SCHEMBL2885332 0.80 GNAI3 (0.49) GNAI3GNAO1GNAI1CHRM5CHRM3
SCHEMBL18771292 0.72 GNAI3 (0.42) GNAI3GNAO1GNAI1CHRM5CHRM3
SCHEMBL20240537 0.72 CA2 (0.42) CA12CA1CA2CA9TPSAB1
SCHEMBL5115089 0.71 GAA (0.52) CA12CA1CA2CA9
SCHEMBL11172594 0.70 GNAI3 (0.40) GNAI3GNAO1GNAI1
SCHEMBL1459326 0.70 GNAI3 (0.44) GNAI3GNAO1GNAI1KMT2ACHRM5
SCHEMBL853648 0.69 GNAI3 (0.41) GNAI3GNAO1GNAI1MEN1KMT2A
Hydrochloric Acid SCHEMBL27503795 0.69 GNAI3 (0.47) GNAI3GNAO1GNAI1KMT2ACHRM5
SCHEMBL3267951 0.68 GNAI3 (0.46) GNAI3GNAO1GNAI1CHRM5CHRM3
SCHEMBL10403133 0.68 GNAI3 (0.46) GNAI3GNAO1GNAI1CHRM5CHRM3

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-113318571-A For capturing CO2Biphasic absorbent and use thereof 华侨大学 2021-08-31 CN disclosed