SCHEMBL6568305

SCHEMBL6568305

CCN(CC)C(CCCc1ccccc1)CCOCCC(CCCc1ccccc1)N(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MC4R P32245 1/20 0.40
BCHE P06276 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL12540146 0.75 BCHE (0.44) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL11132326 0.75 KCNH2 (0.52) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL6568818 0.73 KCNH2 (0.46) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL11135729 0.71 SIGMAR1 (0.49) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL11136447 0.70 SIGMAR1 (0.49) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL196951 0.69 IDO1 (0.67) IDO1
SCHEMBL19101896 0.69 TDP1 (0.53) IDO1
SCHEMBL18512372 0.69 TDP1 (0.53) IDO1
SCHEMBL490540 0.69 KCNH2 (0.68) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL10546787 0.69 BCHE (0.52) KCNH2CHRM2HTR1AADRA2ACHRM1

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
EP-1100503-B1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ILE BIOPROJET SOC CIV (FR) 2004-09-22 EP claimed