SCHEMBL5069465

SCHEMBL5069465

Cc1[nH]cc[n+]1CCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
MAOA P21397 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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 SCHEMBL8369377 0.88 TAAR1 (0.36) KMT2AMAOANPC1POLBRAB9A
SCHEMBL5711144 0.79 KDM4E (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9696543 0.77 KDM4E (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Iodide SCHEMBL5543786 0.77 EEF2K (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL329178 0.74 HTT (0.35) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3742673 0.73 HTT (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Water SCHEMBL15571107 0.73 HTT (0.34) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Bromide SCHEMBL204549 0.73 CA1 (0.36) MEN1KMT2ANPC1POLBRAB9A
Hydrochloric Acid SCHEMBL202419 0.73 HTT (0.34) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Iodide SCHEMBL1226177 0.73 HTT (0.35) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008026786-A1 SALT FOR NEAR INFRARED RAY ABSORBING COMPOSITION AND NEAR INFRARED RAY ABSORBING PRESSURE SENSITIVE ADHESIVE COMPOSITION NIPPON SHOKUBAI CO., LTD. (JP) 2008-03-06 WO disclosed
EP-1846423-A2 BORATE AND NEAR-INFRARED RAY ABSORPTION MATERIAL Nippon Shokubai Co.,Ltd. (JP) 2007-10-24 EP disclosed
WO-2006082945-A2 BORATE AND NEAR-INFRARED RAY ABSORPTION MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 2006-08-10 WO disclosed