SCHEMBL7225576

SCHEMBL7225576

CN1CC2CN(Cc3ccccc3)CC(C1)C2=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.53
FUCA1 P04066 2/20 0.50
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
GAA P10253 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ACHE P22303 1/20 0.46
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2962712 0.91 FUCA1 (0.58) FUCA1S1PR1S1PR5GAASIGMAR1
SCHEMBL1514852 0.84 FUCA1 (0.55) FUCA1S1PR1S1PR5GAASIGMAR1
SCHEMBL30875889 0.84 FUCA1 (0.55) FUCA1S1PR1S1PR5GAASIGMAR1
SCHEMBL20417932 0.84 FUCA1 (0.55) FUCA1S1PR1S1PR5GAASIGMAR1
SCHEMBL18339637 0.84 FUCA1 (0.55) FUCA1S1PR1S1PR5GAASIGMAR1
SCHEMBL19518531 0.84 FUCA1 (0.55) FUCA1S1PR1S1PR5GAASIGMAR1
SCHEMBL17560348 0.84 FUCA1 (0.55) FUCA1S1PR1S1PR5GAASIGMAR1
SCHEMBL31327374 0.84 FUCA1 (0.55) FUCA1S1PR1S1PR5GAASIGMAR1
SCHEMBL9265205 0.82 TACR1 (0.47) FUCA1S1PR1S1PR5GAASIGMAR1
SCHEMBL6201908 0.81 ACHE (0.53) SIGMAR1ACHE

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
US-6589934-B1 Methods of treatment of non insulin dependent diabetes mellitus, antagonists of the delayed rectifier potassium channel Kv2.1, methods of using and preparing the antagonists and assays for identifying such antagonist SMITHKLINE BEECHAM CORPORATION 2003-07-08 US disclosed
EP-1042322-B1 Kv2.1 ANTAGONISTS GLAXO GROUP LTD (GB) 2002-04-17 EP disclosed
EP-1042322-A1 Kv2.1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2000-10-11 EP disclosed
WO-1999032487-A1 Kv2.1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 1999-07-01 WO disclosed