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 — —
SCHEMBL4276902 0.76 GAA (0.47) —
SCHEMBL6669977 0.76 TSHR (0.37) —
SCHEMBL897659 0.74 LTA4H (0.43) CHRM2NR1I2ADRA2AOPRK1HTR2B
Hydrochloric Acid SCHEMBL3427231 0.74 GAA (0.48) CHRM2CHRM1CHRM3CHRM4ADRA2A
SCHEMBL10364117 0.74 — —
SCHEMBL30877461 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
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