SCHEMBL6976497

SCHEMBL6976497

CC1=C(C)C2=C(N)C(C)(CN3CCC(CCc4ccccc4)CC3)CC2=C(C)O1

nearest known ligand 0.44

Predicted protein targets (top 10)

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
ACHE P22303 3/20 0.39
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CTSC P53634 1/20 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
SCHEMBL6981079 0.94 HRH3 (0.40) CARM1PRMT6MAOAMAOBACHE
SCHEMBL6981931 0.93 HRH3 (0.39) CARM1PRMT6MAOAMAOBACHE
SCHEMBL6979708 0.90 PRMT6 (0.43) CARM1PRMT6
SCHEMBL8578232 0.84 SIGMAR1 (0.46)
SCHEMBL6980208 0.83 CARM1 (0.43) CARM1PRMT6CTSLCTSBCTSK
Hydrochloric Acid SCHEMBL6984012 0.83 SIGMAR1 (0.45)
Hydrochloric Acid SCHEMBL6984760 0.82 DRD2 (0.40) CARM1PRMT6
Hydrochloric Acid SCHEMBL6985853 0.82 DRD2 (0.40) CARM1PRMT6
Hydrochloric Acid SCHEMBL6979051 0.82 LMNA (0.41) ACHE
SCHEMBL6983492 0.79 CHRNA7 (0.40)

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