SCHEMBL4186050

SCHEMBL4186050

CCCCN(CCCC)N(CCCC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KCNH2 Q12809 3/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ESR1 P03372 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
NPC1 O15118 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
Hydrochloric Acid SCHEMBL28315641 0.81 KCNH2 (0.47) KCNH2OPRM1DRD3CHRM2HTR1A
SCHEMBL11686709 0.81 TDP1 (0.44) BCHETDP1KCNH2OPRM1DRD3
SCHEMBL9114448 0.81 KCNH2 (0.44) KCNH2OPRM1DRD3SIGMAR1NPC1
SCHEMBL11686489 0.79 TDP1 (0.43) BCHETDP1KCNH2OPRM1DRD3
SCHEMBL27740561 0.78 NPC1 (0.42) BCHETDP1KCNH2OPRM1DRD3
SCHEMBL96160 0.77 TDP1 (0.44) BCHETDP1KCNH2OPRM1DRD3
SCHEMBL28657743 0.76 NPC1 (0.45) TDP1KCNH2SIGMAR1NPC1JAK2
SCHEMBL2589900 0.76 MEN1 (0.51) TDP1KCNH2ESR1MEN1KMT2A
SCHEMBL157807 0.76 MEN1 (0.51) TDP1KCNH2ESR1MEN1KMT2A
SCHEMBL107013 0.76 CNR2 (0.49) TDP1ESR1MEN1KMT2ANPSR1

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
US-8247035-B2 Method for forming multilayer coating film KANSAI PAINT CO., LTD. (JP) 2012-08-21 US disclosed
US-20090117396-A1 Method for Forming Multilayer Coating Film KANSAI PAINT CO., LTD. 2009-05-07 US disclosed