SCHEMBL6976601

SCHEMBL6976601

CC1=C(C)C2=C(N)C(C)(CN3CCC(COC(c4ccccc4)c4ccccc4)CC3)CC2=C(C)O1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.41
CHRNA7 P36544 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
SCHEMBL6984910 0.91 KCNA3 (0.44) KCNA3
SCHEMBL6983932 0.87 CHRM2 (0.43)
Hydrochloric Acid SCHEMBL6984801 0.85 SMN1; SMN2 (0.43) CHRNA7
Hydrochloric Acid SCHEMBL6985676 0.83 SMN1; SMN2 (0.42)
Hydrochloric Acid SCHEMBL6985053 0.83 SMN1; SMN2 (0.41)
SCHEMBL6979708 0.82 PRMT6 (0.43)
SCHEMBL6976120 0.82 GAA (0.32)
Hydrochloric Acid SCHEMBL6983999 0.82 SMN1; SMN2 (0.41)
Hydrochloric Acid SCHEMBL6985438 0.82 SMN1; SMN2 (0.41)
SCHEMBL6976497 0.81 CARM1 (0.42)

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