SCHEMBL6976496

SCHEMBL6976496

Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(CCc3ccccc3)CC1)O2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 3/20 0.37
ACHE P22303 2/20 0.37

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
SCHEMBL6981074 0.94 HRH3 (0.40) CARM1PRMT6MAOAMAOBACHE
SCHEMBL6981926 0.93 HRH3 (0.39) CARM1PRMT6MAOAMAOBKCNH2
SCHEMBL6979705 0.90 PRMT6 (0.43) CARM1PRMT6KCNH2
SCHEMBL6981065 0.85 SIGMAR1 (0.41) KCNH2ACHE
SCHEMBL6985084 0.84 AGTR2 (0.36) CARM1PRMT6MAOAMAOB
SCHEMBL8578227 0.84 SIGMAR1 (0.46)
SCHEMBL6981562 0.83 DRD2 (0.43) CARM1PRMT6
SCHEMBL7811043 0.83 DRD2 (0.43) CARM1PRMT6
SCHEMBL6981384 0.83 DRD2 (0.43) CARM1PRMT6
SCHEMBL6985365 0.83 LMNA (0.42) ACHE

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