SCHEMBL6982085

SCHEMBL6982085

CCNC1=C2C(C)=C(C)OC(C)=C2CC1(C)CN1CCC(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
SLC18A3 Q16572 7/20 0.37
HTR7 P34969 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
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 0.84 DRD2 (0.40) DRD2CARM1PRMT6SLC18A3HTR7
Hydrochloric Acid SCHEMBL6980233 0.84 CHRNA7 (0.39) DRD2HTR7MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL6984760 0.83 DRD2 (0.40) DRD2CARM1PRMT6SLC18A3HTR7
Hydrochloric Acid SCHEMBL6985853 0.83 DRD2 (0.40) DRD2CARM1PRMT6SLC18A3HTR7
SCHEMBL6974487 0.76 DRD2 (0.38) DRD2CARM1PRMT6SLC18A3HTR7
SCHEMBL6977829 0.75 DRD2 (0.38) DRD2CARM1PRMT6SLC18A3HTR7
SCHEMBL6985256 0.74 MEN1 (0.39) MEN1KMT2AHRH1
SCHEMBL6979708 0.70 PRMT6 (0.43) CARM1PRMT6SIGMAR1
SCHEMBL6981079 0.67 HRH3 (0.40) CARM1PRMT6SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL6986246 0.67 ADRA1D (0.46) KMT2A

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
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