SCHEMBL7860964

SCHEMBL7860964

N#CC(N)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AOC3 Q16853 1/20 0.39
GBA1 P04062 1/20 0.36
ACHE P22303 1/20 0.35
EPHX1 P07099 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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 SCHEMBL5743371 0.98 IDO1 (0.47) IDO1TDO2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL5743370 0.98 IDO1 (0.47) IDO1TDO2OPRM1OPRD1OPRK1
SCHEMBL8657495 0.79 HDAC4 (0.43) IDO1TDO2HDAC4HDAC7HDAC5
SCHEMBL6681577 0.79 IDO1 (0.34) IDO1TDO2OPRM1OPRD1OPRK1
SCHEMBL3556521 0.78 HDAC4 (0.42) IDO1TDO2HDAC4HDAC7HDAC5
SCHEMBL8724411 0.76 IDO1 (0.52) IDO1TDO2OPRM1OPRD1OPRK1
SCHEMBL3254640 0.76 IDO1 (0.52) IDO1TDO2OPRM1OPRD1OPRK1
SCHEMBL12568799 0.76 IDO1 (0.52) IDO1TDO2OPRM1OPRD1OPRK1
SCHEMBL3296814 0.76 IDO1 (0.52) IDO1TDO2OPRM1OPRD1OPRK1
SCHEMBL3253159 0.76 IDO1 (0.52) IDO1TDO2OPRM1OPRD1OPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1111162-C Artemisinin derivatives, method for preparation thereof and pharmaceutical compositions containing the same SHANGHAI INST OF MATERIAL MEDI (CN) 2003-06-11 CN disclosed
US-6307068-B1 TREATING OR IN PREVENTING CANCER. ADIR ET COMPAGNIE (FR) 2001-10-23 US disclosed
CN-1305482-A Artemisinin derivatives, method for preparation thereof and pharmaceutical compositions containing the same SHANGHAI INST OF MATERIAL MEDI (CN) 2001-07-25 CN disclosed
EP-1086107-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2001-03-28 EP disclosed
WO-1999065914-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA (CN) 1999-12-23 WO disclosed