SCHEMBL8149792

SCHEMBL8149792

CCCc1ccccc1C(C[N+](C)(C)C)OP(=O)([O-])O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CYSLTR2 Q9NS75 7/20 0.32
CYSLTR1 Q9Y271 7/20 0.32
PPARG P37231 4/20 0.30
PPARA Q07869 4/20 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
SCHEMBL8149796 0.90 ADRA2A (0.34) ADRA2AADRA2BADRA2CCHRM2CHRM1
SCHEMBL8147131 0.82 ADRA2A (0.33) ADRA2AADRA2BADRA2C
SCHEMBL8147129 0.82 ADRA2A (0.33) ADRA2AADRA2BADRA2C
SCHEMBL8638610 0.81 GABRA1 (0.33) CHRM2CHRM1CHRM3
SCHEMBL4303313 0.76 CHRM1 (0.42) CHRM2CHRM1CHRM3
SCHEMBL8148753 0.72 LMNA (0.33)
SCHEMBL8154389 0.71 ADRA2A (0.34) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL8638615 0.71 GABRA1 (0.35)
SCHEMBL8149512 0.70 PGK1 (0.40) CHRM2CHRM1CHRM3
SCHEMBL8140633 0.70 TRPA1 (0.37) CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000013690-A1 EXOCYCLIC-PHOSPHOETHANOLAMINES CLARION PHARMACEUTICALS, INC. (US) 2000-03-16 WO disclosed
US-5804569-A ANTIINFLAMMATORY, ANTIARRHYMIC AND LOCAL ANESTHETIC AGENT CLARION PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed