SCHEMBL6980205

SCHEMBL6980205

Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(OCc3ccccc3)CC1)O2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 9/20 0.43
PRMT6 Q96LA8 9/20 0.43
PRMT8 Q9NR22 3/20 0.43
SIGMAR1 Q99720 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PRMT3 O60678 1/20 0.37
BCHE P06276 6/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL6985084 0.89 AGTR2 (0.36) CARM1PRMT6PRMT8SIGMAR1TMEM97
SCHEMBL6979705 0.85 PRMT6 (0.43) CARM1PRMT6PRMT8SIGMAR1TMEM97
SCHEMBL6976937 0.84 DPP4 (0.40) SIGMAR1TMEM97OPRM1DPP4
SCHEMBL6976935 0.84 DPP4 (0.40) SIGMAR1TMEM97OPRM1DPP4
SCHEMBL6983930 0.83 CHRM2 (0.43) SIGMAR1HRH3BCHEOPRM1
SCHEMBL6976496 0.83 CARM1 (0.42) CARM1PRMT6
SCHEMBL7811043 0.83 DRD2 (0.43) CARM1PRMT6SIGMAR1
SCHEMBL6981384 0.83 DRD2 (0.43) CARM1PRMT6SIGMAR1
SCHEMBL6981562 0.83 DRD2 (0.43) CARM1PRMT6SIGMAR1
SCHEMBL6985365 0.82 LMNA (0.42) SIGMAR1TMEM97

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