SCHEMBL6977829

SCHEMBL6977829

CC1=C2CC(C)(CN3CCC(c4ccccc4)CC3)C(N)=C2C(C(C)C)=C(C)O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
SLC18A3 Q16572 5/20 0.37
HTR7 P34969 2/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
CCR5 P51681 1/20 0.34
PRCP P42785 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LIPE Q05469 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1B P35368 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
SCHEMBL6981567 0.88 DRD2 (0.40) DRD2SLC18A3HTR7CARM1PRMT6
Hydrochloric Acid SCHEMBL6984760 0.87 DRD2 (0.40) DRD2SLC18A3HTR7CARM1PRMT6
Hydrochloric Acid SCHEMBL6985853 0.87 DRD2 (0.40) DRD2SLC18A3HTR7CARM1PRMT6
SCHEMBL6974487 0.85 DRD2 (0.38) DRD2SLC18A3HTR7CARM1PRMT6
SCHEMBL6985256 0.78 MEN1 (0.39) HRH1MEN1KMT2A
SCHEMBL6982085 0.75 DRD2 (0.41) DRD2SLC18A3HTR7CARM1PRMT6
SCHEMBL6979708 0.73 PRMT6 (0.43) CARM1PRMT6SIGMAR1
SCHEMBL6976120 0.71 GAA (0.32)
SCHEMBL6981079 0.71 HRH3 (0.40) SLC18A3CARM1PRMT6CCR5SIGMAR1
SCHEMBL6983492 0.70 CHRNA7 (0.40) DRD2HTR7SIGMAR1HTR1A

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