SCHEMBL7869880

SCHEMBL7869880

CCCN(CCC)CCOc1ccc(NC(=O)c2c(OC)cccc2OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.70
TSHR P16473 2/20 0.56
MCHR1 Q99705 1/20 0.55
KDR P35968 3/20 0.53
RAB9A P51151 4/20 0.52
MAPT P10636 4/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
GAA P10253 1/20 0.48
GFER P55789 1/20 0.47
MEN1 O00255 1/20 0.46
AHR P35869 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MCL1 Q07820 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL7867012 0.92 SMN1; SMN2 (0.71) SMN1; SMN2TSHRMCHR1KDRRAB9A
Hydrochloric Acid SCHEMBL7866975 0.91 SMN1; SMN2 (0.70) SMN1; SMN2TSHRMCHR1KDRRAB9A
SCHEMBL7868849 0.86 KDR (0.52) SMN1; SMN2TSHRMCHR1KDRRAB9A
SCHEMBL7870760 0.82 SMN1; SMN2 (0.71) SMN1; SMN2TSHRRAB9AMAPTNPC1
SCHEMBL7869899 0.82 SMN1; SMN2 (0.74) SMN1; SMN2TSHRRAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL7869946 0.81 SMN1; SMN2 (0.62) SMN1; SMN2TSHRMCHR1KDRRAB9A
Hydrochloric Acid SCHEMBL7862098 0.81 SMN1; SMN2 (0.72) SMN1; SMN2TSHRRAB9AMAPTNPC1
SCHEMBL7868735 0.81 SMN1; SMN2 (0.68) SMN1; SMN2TSHRRAB9AMAPTNPC1
SCHEMBL7868714 0.81 MCHR1 (0.62) SMN1; SMN2MCHR1KDRRAB9AMAPT
Hydrochloric Acid SCHEMBL7870728 0.80 SMN1; SMN2 (0.71) SMN1; SMN2TSHRRAB9AMAPTNPC1

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