SCHEMBL6983812

SCHEMBL6983812

NC1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.51
CACNA1B Q00975 4/20 0.49
OPRM1 P35372 4/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
OPRL1 P41146 2/20 0.46
IGF1R P08069 1/20 0.43
MGLL Q99685 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
CYP2D6 P10635 2/20 0.42
HIF1A Q16665 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
CACNA2D1 P54289 1/20 0.42

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
SCHEMBL16225988 0.81 ACHE (0.51) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL7944686 0.81 ACHE (0.51) ACHECACNA1BOPRM1OPRD1OPRK1
SCHEMBL4486797 0.81 ACHE (0.46) ACHECACNA1BOPRM1OPRD1OPRK1
SCHEMBL2306320 0.81 L3MBTL3 (0.61) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL8477673 0.81 ACHE (0.51) ACHECACNA1BOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6984780 0.79 L3MBTL3 (0.59) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL16226399 0.77 ACHE (0.51) ACHECACNA1BOPRM1OPRD1OPRK1
SCHEMBL14699666 0.77 MGLL (0.48) ACHECACNA1BOPRM1OPRD1OPRK1
SCHEMBL6979086 0.77 OPRM1 (0.51) CACNA1BOPRM1OPRD1OPRK1OPRL1
SCHEMBL14280201 0.76 ACHE (0.71) ACHEOPRM1OPRD1OPRK1OPRL1

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
EP-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
US-6172085-B1 CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed