SCHEMBL6281359

SCHEMBL6281359

NC1CCN(c2ncc[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 5/20 0.49
KIT P10721 1/20 0.46
GSK3B P49841 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
DKK1 O94907 1/20 0.38
CHEK1 O14757 1/20 0.37
CHEK2 O96017 1/20 0.37
ALOX15 P16050 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
MEN1 O00255 1/20 0.37
HTR3B O95264 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR3A P46098 1/20 0.37

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
SCHEMBL300491 0.78 ALOX15 (0.41) AKT2HIPK2ALOX15MEN1CYP1A2
SCHEMBL4790799 0.77 ALOX15 (0.36) AKT2KITGSK3BHRH3HIPK2
Hydrochloric Acid SCHEMBL9200760 0.76 ALOX15 (0.39) ROCK2ROCK1CDC42BPBHIPK2ALOX15
SCHEMBL311710 0.76 BCHE (0.42) AKT2HRH3HIPK2ALOX15MEN1
Hydrochloric Acid SCHEMBL29956711 0.76 HIPK2 (0.37) AKT2KITGSK3BHIPK2ALOX15
SCHEMBL556899 0.75 LMNA (0.39) ROCK2ROCK1CDC42BPBHIPK2
SCHEMBL6403188 0.75 HIPK2 (0.36) AKT2HIPK2ALOX15
SCHEMBL14587775 0.75 ALOX15 (0.34) AKT2GSK3BHRH3HIPK2ALOX15
SCHEMBL3096843 0.75 KDM4E (0.48) HRH3ALOX15HTR3A
Hydrochloric Acid SCHEMBL29375122 0.75 BCHE (0.41) AKT2HRH3HIPK2ALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872738-B1 Product comprising at least a no synthase inhibiting substance associated with at least a phospholipase a2 inhibiting substance SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-03-29 US claimed
EP-1233786-B1 PRODUCT COMPRISING AT LEAST A NO SYNTHASE INHIBITING SUBSTANCE ASSOCIATED WITH AT LEAST A PHOSPHOLIPASE A2 INHIBITING SUBSTANCE FOR THE PREPARATION OF A MEDICAMENT CONSEILS DE RECH SET D APPLIC (FR) 2004-02-18 EP claimed
EP-1233786-A2 PRODUCT COMPRISING AT LEAST A NO SYNTHASE INHIBITING SUBSTANCE ASSOCIATED WITH AT LEAST A PHOSPHOLIPASE A2 INHIBITING SUBSTANCE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-28 EP claimed
WO-2001032216-A2 PRODUCT COMPRISING AT LEAST A NO SYNTHASE INHIBITING SUBSTANCE ASSOCIATED WITH AT LEAST A PHOSPHOLIPASE A2 INHIBITING SUBSTANCE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-10 WO claimed
US-6872738-B1 Product comprising at least a no synthase inhibiting substance associated with at least a phospholipase a2 inhibiting substance SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-03-29 US disclosed
EP-1233786-B1 PRODUCT COMPRISING AT LEAST A NO SYNTHASE INHIBITING SUBSTANCE ASSOCIATED WITH AT LEAST A PHOSPHOLIPASE A2 INHIBITING SUBSTANCE FOR THE PREPARATION OF A MEDICAMENT CONSEILS DE RECH SET D APPLIC (FR) 2004-02-18 EP disclosed
EP-1233786-A2 PRODUCT COMPRISING AT LEAST A NO SYNTHASE INHIBITING SUBSTANCE ASSOCIATED WITH AT LEAST A PHOSPHOLIPASE A2 INHIBITING SUBSTANCE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-28 EP disclosed
WO-2001032216-A2 PRODUCT COMPRISING AT LEAST A NO SYNTHASE INHIBITING SUBSTANCE ASSOCIATED WITH AT LEAST A PHOSPHOLIPASE A2 INHIBITING SUBSTANCE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-10 WO disclosed