SCHEMBL6977824

SCHEMBL6977824

Cc1c(N)c(C)c(C(C)C)c2c1CC(C)(CN1CCC(c3ccccc3)CC1)O2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
SLC18A3 Q16572 3/20 0.37
LIPE Q05469 1/20 0.36
HTR7 P34969 2/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
TLR9 Q9NR96 3/20 0.34
TLR8 Q9NR97 3/20 0.34
TLR7 Q9NYK1 3/20 0.34
CCR5 P51681 1/20 0.34
PRCP P42785 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL6981562 0.89 DRD2 (0.43) DRD2SLC18A3HTR7CARM1PRMT6
SCHEMBL6981384 0.89 DRD2 (0.43) DRD2SLC18A3HTR7CARM1PRMT6
SCHEMBL7811043 0.89 DRD2 (0.43) DRD2SLC18A3HTR7CARM1PRMT6
Hydrochloric Acid SCHEMBL6985847 0.88 DRD2 (0.42) DRD2SLC18A3HTR7CARM1PRMT6
Bromide SCHEMBL7811682 0.88 DRD2 (0.42) DRD2SLC18A3HTR7CARM1PRMT6
Bromide SCHEMBL7811677 0.88 DRD2 (0.42) DRD2SLC18A3HTR7CARM1PRMT6
Hydrochloric Acid SCHEMBL7811763 0.88 DRD2 (0.42) DRD2SLC18A3HTR7CARM1PRMT6
Hydrochloric Acid SCHEMBL6984757 0.88 DRD2 (0.42) DRD2SLC18A3HTR7CARM1PRMT6
SCHEMBL6977637 0.85 CHRM1 (0.30)
SCHEMBL6974484 0.84 DRD2 (0.39) DRD2SLC18A3HTR7CARM1PRMT6

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 3 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 claimed
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