SCHEMBL8147131

SCHEMBL8147131

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 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
SCHEMBL8147129 0.87 ADRA2A (0.33) ADRA2AADRA2BADRA2C
SCHEMBL8149796 0.84 ADRA2A (0.34) ADRA2AADRA2BADRA2C
SCHEMBL8154367 0.84 ADRA2A (0.34) ADRA2AADRA2BADRA2C
SCHEMBL8639222 0.82 ADRA2A (0.38) ADRA2AADRA2BADRA2C
SCHEMBL8149792 0.82 ADRA2A (0.33) ADRA2AADRA2BADRA2C
SCHEMBL8643387 0.81 ESR1 (0.35)
SCHEMBL8153294 0.81 GABRA1 (0.33)
SCHEMBL8146390 0.76 SCN1A (0.36)
SCHEMBL8641459 0.74 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL8140900 0.72 POLB (0.31)

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