SCHEMBL6982741

SCHEMBL6982741

Cc1c(C)c2c(c(C)c1NC(=O)O)CC(C)(CN1CCC(CCO)CC1)O2

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
MAOB P27338 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
SCHEMBL6980736 0.82 ACHE (0.38) ACHEMAOB
SCHEMBL6985052 0.81 USP2 (0.32) ACHEMAOB
SCHEMBL6980360 0.77 SLC18A3 (0.40)
SCHEMBL6987101 0.77 ALOX5 (0.34)
SCHEMBL6985682 0.75 SLC6A4 (0.49)
SCHEMBL6983850 0.73 MEN1 (0.39)
SCHEMBL6984138 0.73 ALOX5 (0.34)
SCHEMBL6978428 0.70 BCHE (0.44) ACHE
SCHEMBL8716163 0.70 ALOX5 (0.31)
SCHEMBL6982079 0.69 DRD2 (0.43)

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