SCHEMBL7874007

SCHEMBL7874007

COc1cc(NC(=O)c2ccoc2)ccc1OCCNC(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.49
HTR2C P28335 1/20 0.49
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44

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 SCHEMBL7868842 0.99 MCHR1 (0.48) MCHR1HTR2CALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL7870706 0.88 MCHR1 (0.48) MCHR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL7874129 0.86 MCHR1 (0.48) MCHR1HTR2CALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL7870771 0.85 MCHR1 (0.48) MCHR1HTR2CALDH1A1LMNAMAPT
SCHEMBL7869889 0.84 PTK2 (0.43) MCHR1ALDH1A1LMNAMAPTNPC1
Hydrochloric Acid SCHEMBL7862227 0.83 PTK2 (0.43) MCHR1ALDH1A1LMNAMAPTNPC1
Hydrochloric Acid SCHEMBL7867070 0.81 MAPT (0.44) MCHR1ALDH1A1LMNAMAPTNPC1
SCHEMBL7869909 0.81 SMN1; SMN2 (0.52) MCHR1HTR2CLMNAMAPTNPC1
Hydrochloric Acid SCHEMBL7869929 0.80 SMN1; SMN2 (0.51) MCHR1HTR2CLMNAMAPTTP53
SCHEMBL8003660 0.79 NPSR1 (0.50) MCHR1HTR2CLMNAMAPTNPC1

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