SCHEMBL7869909

SCHEMBL7869909

COc1cc(NC(=O)c2c(OC)cccc2OC)ccc1OCCNC(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MCHR1 Q99705 8/20 0.51
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.50
HTR2C P28335 1/20 0.50
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46

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 SCHEMBL7869929 0.99 SMN1; SMN2 (0.51) SMN1; SMN2MCHR1MAPTTP53HTR2C
SCHEMBL7869917 0.91 SMN1; SMN2 (0.50) SMN1; SMN2MCHR1MAPTTP53TSHR
Hydrochloric Acid SCHEMBL7874146 0.90 SMN1; SMN2 (0.49) SMN1; SMN2MCHR1MAPTTP53TSHR
SCHEMBL7866910 0.87 ALDH1A1 (0.49) SMN1; SMN2MCHR1MAPTTP53TSHR
SCHEMBL7866953 0.86 SMN1; SMN2 (0.67) SMN1; SMN2MAPTTP53TSHRRAB9A
Hydrochloric Acid SCHEMBL7862199 0.85 SMN1; SMN2 (0.66) SMN1; SMN2MAPTTP53TSHRRAB9A
SCHEMBL8003660 0.83 NPSR1 (0.50) SMN1; SMN2MCHR1MAPTHTR2CRAB9A
Hydrochloric Acid SCHEMBL7874098 0.82 SMN1; SMN2 (0.47) SMN1; SMN2MAPTTP53TSHRMAPK1
Hydrochloric Acid SCHEMBL7870801 0.82 ALDH1A1 (0.59) SMN1; SMN2MCHR1MAPTKDM4ERAB9A
SCHEMBL11390594 0.81 FAAH (0.52) SMN1; SMN2MCHR1HTR2CKDM4EMAPK1

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-6300368-B1 FOR THERAPY OF ATRIAL ARRHYTHMIA MITSUI CHEMICALS, INC. (JP) 2001-10-09 US disclosed
EP-0968999-A1 Anilide derivatives and antiarrhythmic agents containing the same Mitsui Chemicals, Inc. (JP) 2000-01-05 EP disclosed