SCHEMBL6597979

SCHEMBL6597979

O[C@@H]1CCCC[C@H]1N1CCCCCC1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 11/20 0.72
CYP2D6 P10635 2/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
ALDH1A1 P00352 1/20 0.52
APEX1 P27695 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL6597981 1.00 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL10960265 1.00 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL6597975 1.00 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL6596292 1.00 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL6593610 1.00 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL8989808 1.00 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL11346322 1.00 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL6596291 1.00 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL11346290 1.00 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL10960261 1.00 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-B1 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 2004-12-15 EP disclosed
EP-0720605-B1 AMINOCYCLOHEXYLESTERS AND USES THEREOF UNIV BRITISH COLUMBIA (CA) 2001-12-19 EP disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-6174879-B1 BLOCKING SODIUM AND POTASSIUM ION CHANNELS IN VIVO AND IN VITRO; ANTIARRHYTHMIA AGENTS UNIVERSITY OF BRITISH COLUMBIA (CA) 2001-01-16 US disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
US-5885984-A BLOCKADE OF ION CHANNELS AND THE TREATMENT OF ARRHYTHMIAS. UNIVERSITY OF BRITISH COLUMBIA (CA) 1999-03-23 US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed
EP-0632806-B1 AMINOCYCLOHEXYLAMIDES FOR ANTIARRHYTHMIC AND ANAESTHETIC USES UNIV BRITISH COLUMBIA (CA) 1997-07-02 EP disclosed
US-5637583-A ANTIARRHYTHMIA AGENTS UNIVERSITY OF BRITISH COLUMBIA (CA) 1997-06-10 US disclosed
US-5506257-A SODIUM CHANNEL BLOCKERS UNIVERSITY OF BRITISH COLUMBIA (CA) 1996-04-09 US disclosed
EP-0632806-A1 AMINOCYCLOHEXYLAMIDES FOR ANTIARRHYTHMIC AND ANAESTHETIC USES. UNIV BRITISH COLUMBIA (CA) 1995-01-11 EP disclosed
WO-1993019056-A1 AMINOCYCLOHEXYLAMIDES FOR ANTIARRHYTHMIC AND ANAESTHETIC USES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 1993-09-30 WO disclosed