SCHEMBL5544154

SCHEMBL5544154

CC[N+](CC)(CCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CHRNA7 P36544 3/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
SIGMAR1 Q99720 1/20 0.46
DNM1 Q05193 2/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
KCNH2 Q12809 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL17363942 0.92 CHRNB4 (0.54) CYP1A2CHRNA7CHRNB4CHRNA3SIGMAR1
Hydrochloric Acid SCHEMBL2154841 0.90 CHRNB4 (0.53) CYP1A2CHRNA7CHRNB4CHRNA3SIGMAR1
Water SCHEMBL28125747 0.90 CHRNB4 (0.53) CYP1A2CHRNA7CHRNB4CHRNA3SIGMAR1
SCHEMBL12558342 0.86 DNM1 (0.56) CYP1A2CHRNA7CHRNB4CHRNA3DNM1
Bromide SCHEMBL11132581 0.84 KCNH2 (0.53) CHRNA7CHRNB4CHRNA3SIGMAR1DNM1
Bromide SCHEMBL25285655 0.84 DNM1 (0.58) CYP1A2CHRNA7CHRNB4CHRNA3DNM1
Hexane SCHEMBL9016836 0.84 DNM1 (0.59) CYP1A2CHRNA7CHRNB4CHRNA3SIGMAR1
Hydrochloric Acid SCHEMBL8527490 0.84 MEN1 (0.58) CYP1A2CHRNA7CHRNB4CHRNA3DNM1
Water SCHEMBL8528858 0.84 DNM1 (0.55) CYP1A2CHRNA7CHRNB4CHRNA3DNM1
SCHEMBL8572888 0.84 DNM1 (0.55) CYP1A2CHRNA7CHRNB4CHRNA3DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169499-B2 Sulfonated polyphosphazenes, uses thereof, and methods for preparing same PARALLEL SOLUTIONS, INC. (US) 2007-01-30 US disclosed
EP-1551904-A4 SULFONATED POLYPHOSPHAZENES, USES THEREOF, AND METHODS FOR PREPARING SAME PARALLEL SOLUTIONS INC (US) 2006-04-05 EP disclosed
EP-1551904-A1 SULFONATED POLYPHOSPHAZENES, USES THEREOF, AND METHODS FOR PREPARING SAME Parallel Solutions, Inc. (US) 2005-07-13 EP disclosed
US-20040033406-A1 Sulfonated polyphosphazenes, uses thereof, and methods for preparing same INNOVO BIOPOLYMERS, LLC 2004-02-19 US disclosed
WO-2003102050-A1 SULFONATED POLYPHOSPHAZENES, USES THEREOF, AND METHODS FOR PREPARING SAME PARALLEL SOLUTIONS, INC. (US) 2003-12-11 WO disclosed