SCHEMBL6979708

SCHEMBL6979708

CC1=C(C)C2=C(N)C(C)(CN3CCC(Cc4ccccc4)CC3)CC2=C(C)O1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 3/20 0.43
CARM1 Q86X55 2/20 0.43
PRMT3 O60678 1/20 0.43
PRMT1 Q99873 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
CCR3 P51677 2/20 0.42
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL6976497 0.90 CARM1 (0.42) PRMT6CARM1
SCHEMBL6981079 0.88 HRH3 (0.40) PRMT6CARM1CCR3SIGMAR1
SCHEMBL6981931 0.87 HRH3 (0.39) PRMT6CARM1CCR3SIGMAR1
SCHEMBL6980208 0.85 CARM1 (0.43) PRMT6CARM1PRMT3PRMT8TMEM97
Hydrochloric Acid SCHEMBL6984760 0.84 DRD2 (0.40) PRMT6CARM1SIGMAR1
Hydrochloric Acid SCHEMBL6985853 0.84 DRD2 (0.40) PRMT6CARM1SIGMAR1
Hydrochloric Acid SCHEMBL6979051 0.84 LMNA (0.41) SIGMAR1
SCHEMBL8578232 0.81 SIGMAR1 (0.46) CCR3SIGMAR1
SCHEMBL6983492 0.81 CHRNA7 (0.40) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL6984012 0.80 SIGMAR1 (0.45) SIGMAR1

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 4 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-0923575-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed