SCHEMBL6017411

SCHEMBL6017411

C=CCc1cccnc1NC(=O)[C@H]1CC[C@H](N)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.38
HPGD P15428 1/20 0.38
JAK2 O60674 8/20 0.37
TYK2 P29597 8/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
ULK1 O75385 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3661853 0.78 ALDH1A1 (0.39) HPGDTYK2NPC1RAB9ASMN1; SMN2
SCHEMBL4710625 0.72 HPGD (0.47) GSK3BHPGDULK1NPC1LMNA
SCHEMBL4710626 0.72 HPGD (0.47) GSK3BHPGDULK1NPC1LMNA
SCHEMBL8915581 0.70 ALDH1A1 (0.43) LMNA
SCHEMBL28680870 0.69 HPGD (0.49) GSK3BHPGDJAK2TYK2NPC1
SCHEMBL14818761 0.69 SMN1; SMN2 (0.57) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL18640737 0.68 DHODH (0.54) GSK3BHPGDJAK2TYK2NPC1
SCHEMBL1554464 0.68 F11 (0.44) GSK3BHPGDJAK2TYK2NPC1
SCHEMBL1554462 0.68 F11 (0.44) GSK3BHPGDJAK2TYK2NPC1
SCHEMBL21366833 0.67 KDM4E (0.38)

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
EP-1720874-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES Bioaxone Therapeutique Inc. (CA) 2006-11-15 EP disclosed
WO-2005080394-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES BIOAXONE THERAPEUTIQUE INC. (CA) 2005-09-01 WO disclosed
EP-1546108-A1 1,4-SUBSTITUTED CYCLOHEXANE DERIVATIVES UNIVERSITE DE MONTREAL (CA) 2005-06-29 EP disclosed
WO-2004022541-A1 1,4-SUBSTITUTED CYCLOHEXANE DERIVATIVES UNIVERSITE DE MONTREAL (CA) 2004-03-18 WO disclosed
EP-0641781-B1 4-AMINO(ALKYL)CYCLOHEXANE-1-CARBOXAMIDE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL (JP) 2000-07-26 EP disclosed
US-5478838-A Treating hypertension, angina pectoris, asthma, improving peripheral circulation YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0641781-A1 4-AMINO(ALKYL)CYCLOHEXANE-1-CARBOXAMIDE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed