SCHEMBL7226436

SCHEMBL7226436

O=C1C2CC(CN(Cc3ccccc3)C2)CN1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
FUCA1 P04066 2/20 0.45
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
HSD11B1 P28845 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL21789645 0.87 TSHR (0.51) TSHRHPGD
SCHEMBL2955795 0.80 FUCA1 (0.60) FUCA1S1PR1S1PR5SIGMAR1
SCHEMBL26990684 0.78 FUCA1 (0.47) TSHRHPGDLMNAMAPTMAPK1
SCHEMBL3831241 0.78 FUCA1 (0.47) TSHRHPGDLMNAMAPTMAPK1
SCHEMBL6202791 0.77 TSHR (0.58) TSHRHPGD
SCHEMBL20488466 0.76 FUCA1 (0.60) FUCA1S1PR1S1PR5SIGMAR1
SCHEMBL18339637 0.75 FUCA1 (0.55) TSHRHPGDFUCA1S1PR1S1PR5
SCHEMBL31327374 0.75 FUCA1 (0.55) TSHRHPGDFUCA1S1PR1S1PR5
Hydrochloric Acid SCHEMBL20488123 0.75 FUCA1 (0.58) TSHRFUCA1S1PR1S1PR5SIGMAR1
SCHEMBL2962712 0.75 FUCA1 (0.58) TSHRHPGDFUCA1S1PR1S1PR5

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 7 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
US-6440970-B1 ACTIVATING NICOTINIC CHOLERGINIC RECEPTORS TARGACEPT, INC. 2002-08-27 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
US-5110933-A Salts of 3-azabicyclo[3.3.1]nonanes as antiarrhythmic agents, and precursors thereof BOARD OF REGENTS OF OKLAHOMA STATE UNIVERSITY (US) 1992-05-05 US disclosed
US-5084572-A Cardiovascular disorders BOARD OF REGENTS OF OKLAHOMA STATE UNIVERSITY (US) 1992-01-28 US disclosed