SCHEMBL22902142

SCHEMBL22902142

CC(C)CC(CC(C(N)=O)C(C)C)C(=O)OCC[N+](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 8/20 0.46
▸ CHRM3 P20309 8/20 0.46
▸ CHRM2 P08172 7/20 0.46
▸ CHRM4 P08173 7/20 0.46
▸ CHRM5 P08912 6/20 0.46
▸ CHRNB2 P17787 4/20 0.46
▸ CHRNA4 P43681 4/20 0.46
▸ CHRNA7 P36544 3/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA10 Q9GZZ6 1/20 0.40

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
SCHEMBL19241288 0.82 CHRM1 (0.46) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL25694913 0.79 CHRM1 (0.48) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL25591630 0.74 SLC1A3 (0.36) MAPTSLC1A3SLC1A2
SCHEMBL16362263 0.73 CHRM1 (0.49) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL13702205 0.72 CHRM2 (0.43) CHRM1CHRM3CHRM2CHRM4MAPK1
SCHEMBL15980616 0.71 SLC1A3 (0.43) TSHRADRA1APGRMAPK1SLC1A3
SCHEMBL15980617 0.71 SLC1A3 (0.43) TSHRADRA1APGRMAPK1SLC1A3
SCHEMBL3686597 0.71 SLC1A3 (0.43) TSHRADRA1APGRMAPK1SLC1A3
SCHEMBL10030397 0.70 CHRM1 (0.49) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL8221214 0.69 CHRM1 (0.55) CHRM1CHRM3CHRM2CHRM4CHRM5

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-20210017061-A1 WATER SEPARATION FROM PARTICULATE MATERIALS ROA ESPINOSA AICARDO (US) 2021-01-21 — — US disclosed
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