SCHEMBL29199874

SCHEMBL29199874

C[N+](C)(C)CCOc1ccc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA7 P36544 3/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
ESR1 P03372 3/20 0.36
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
CHRM4 P08173 2/20 0.34
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL4276048 0.78
SCHEMBL6669977 0.76 TSHR (0.37)
SCHEMBL4276902 0.76 GAA (0.47)
SCHEMBL897659 0.74 LTA4H (0.43) CHRM2NR1I2ADRA2AOPRK1HTR2B
Hydrochloric Acid SCHEMBL3427231 0.74 GAA (0.48) CHRM2CHRM1CHRM3CHRM4ADRA2A
SCHEMBL30877461 0.74
SCHEMBL10364117 0.74
SCHEMBL6671708 0.73 HTR7 (0.44) CHRNB2CHRNA4SCN1ASCN2ASCN3A
SCHEMBL387690 0.73
SCHEMBL6671624 0.72 LSS (0.46) HRH1HRH3

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-117946504-A Polylactic acid resin composition, polylactic acid resin foam, and method for producing same 株式会社理光 2024-04-30 CN disclosed