SCHEMBL8806151

SCHEMBL8806151

CN1CCCCC1CCOCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.52
KCNH2 Q12809 2/20 0.52
HTR2A P28223 2/20 0.52
CHRM3 P20309 2/20 0.52
CHRM1 P11229 2/20 0.52
CYP3A4 P08684 2/20 0.52
SLC22A1 O15245 1/20 0.52
MLNR O43193 1/20 0.52
NR1I2 O75469 1/20 0.52
TP53 P04637 1/20 0.52
ADRB2 P07550 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
ADRB1 P08588 1/20 0.52
HTR1A P08908 1/20 0.52
CHRM5 P08912 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
DRD2 P14416 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL14502963 0.84 CHRNB2 (0.57) KCNH2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL22110284 0.84 CHRNB2 (0.57) KCNH2CHRNB2CHRNA7CHRNA4CHRNA5
Hydrochloric Acid SCHEMBL11447676 0.83 CHRNB2 (0.60) KCNH2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL7546127 0.81 CHRNB2 (0.57) CHRM3CHRM1CHRM2HRH3CHRNB2
SCHEMBL7546116 0.81 CHRNB2 (0.57) CHRM3CHRM1CHRM2HRH3CHRNB2
SCHEMBL22110352 0.81 KDM4E (0.48) CHRM3HRH3LTA4HSMN1; SMN2
SCHEMBL11448915 0.81 SLC2A1 (0.58) ADRA2AKCNH2SLC2A1
SCHEMBL9963995 0.80 SLC18A2 (0.68) ADRA2A
SCHEMBL22110281 0.79 SLC18A2 (0.43) CHRM3CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL7322832 0.79 SLC2A1 (0.59) KCNH2HRH3LTA4HSLC2A1

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
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed