SCHEMBL7862088

SCHEMBL7862088

COc1cccc(OC)c1C(=O)Nc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.64
SMN1; SMN2 Q16637 1/20 0.63
MAPT P10636 2/20 0.63
GFER P55789 1/20 0.63
GAA P10253 1/20 0.61
HRH3 Q9Y5N1 1/20 0.58
MCHR1 Q99705 3/20 0.56
ALDH1A1 P00352 2/20 0.56
ALOX15 P16050 1/20 0.56
KCNA5 P22460 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL7874113 0.99 SMN1; SMN2 (0.65) KDRSMN1; SMN2MAPTGFERGAA
SCHEMBL7869899 0.80 SMN1; SMN2 (0.74) SMN1; SMN2MAPTGFERGAAALDH1A1
Hydrochloric Acid SCHEMBL7862098 0.79 SMN1; SMN2 (0.72) SMN1; SMN2MAPTGFERGAAALDH1A1
SCHEMBL7868780 0.78 SMN1; SMN2 (0.61) SMN1; SMN2MAPTGFERGAAALDH1A1
SCHEMBL7866953 0.78 SMN1; SMN2 (0.67) SMN1; SMN2MAPTGFERGAAALDH1A1
SCHEMBL8015894 0.78 SMN1; SMN2 (0.70) SMN1; SMN2MAPTGFERGAAALDH1A1
Hydrochloric Acid SCHEMBL7862199 0.77 SMN1; SMN2 (0.66) SMN1; SMN2MAPTGFERGAAALDH1A1
SCHEMBL5998386 0.77 JAK2 (0.59) KDRHRH3
SCHEMBL4968829 0.77 GCGR (0.69) KDRHRH3MCHR1
SCHEMBL7866981 0.76 SMN1; SMN2 (0.65) SMN1; SMN2MAPTGFERGAAALDH1A1

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