SCHEMBL9670538

SCHEMBL9670538

CCN(CC)CCCc1ccc(CCCN(CC)CC)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.72
CHRM2 P08172 1/20 0.72
HTR1A P08908 1/20 0.72
ADRA2A P08913 1/20 0.72
CHRM1 P11229 1/20 0.72
DRD1 P21728 1/20 0.72
SLC6A2 P23975 1/20 0.72
SLC6A4 P31645 1/20 0.72
ADRA1A P35348 1/20 0.72
OPRM1 P35372 1/20 0.72
DRD3 P35462 1/20 0.72
SLC6A3 Q01959 1/20 0.72
BIRC5 O15392 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9671027 0.93 KCNH2 (0.64) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL9670343 0.93 KCNH2 (0.65) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL9671701 0.91 KCNH2 (0.68) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL9670944 0.91 KCNH2 (0.68) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL9670241 0.91 KCNH2 (0.68) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL9671564 0.91 KCNH2 (0.68) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL4232064 0.89 KCNH2 (0.60) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL12156482 0.89 KCNH2 (0.60) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL2791368 0.89 KCNH2 (0.92) KCNH2CHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL3278609 0.87 KCNH2 (0.88) 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
US-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed