SCHEMBL3897013

SCHEMBL3897013

CC(C)(C)OC(=O)NC[C@]1(c2ccccc2)CC[C@@H](OC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 18/20 0.44
NMBR P28336 2/20 0.39
GRPR P30550 2/20 0.39

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
SCHEMBL3897017 1.00 KCNA3 (0.44) KCNA3NMBRGRPR
SCHEMBL3895390 0.83 KCNA3 (0.66) KCNA3
SCHEMBL7246303 0.80 HTR2A (0.38)
SCHEMBL3898023 0.80 HTR2A (0.38)
SCHEMBL3896518 0.78 KCNA3 (0.52) KCNA3
SCHEMBL18542634 0.75 MGLL (0.50)
SCHEMBL3908651 0.75 KCNA3 (0.47) KCNA3
SCHEMBL3900137 0.75 KCNA3 (0.47) KCNA3
SCHEMBL3900140 0.75 KCNA3 (0.47) KCNA3
SCHEMBL3967950 0.75 HTT (0.50)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143965-B1 CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
US-6632836-B1 To treat autoimmune disorders, cardiac arrhythmias and the like MERCK & CO., INC. 2003-10-14 US disclosed
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed