SCHEMBL5701178

SCHEMBL5701178

COc1ccc(NCCCOc2ccc3ccc(OCCCNc4ccc(OC)cc4)cc3c2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.89
GAA P10253 3/20 0.58
MAPT P10636 3/20 0.58
GCGR P47871 1/20 0.50
ALDH1A1 P00352 2/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
PTPN1 P18031 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 2/20 0.43
APP P05067 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
KDM4E B2RXH2 1/20 0.43
APAF1 O14727 1/20 0.43
ALOX15 P16050 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
SCHEMBL5701322 0.97 PPARG (0.88) PPARGGAAMAPTGCGRALDH1A1
SCHEMBL5701135 0.94 PPARG (1.00) PPARGGAAMAPTGCGRALDH1A1
SCHEMBL5701175 0.90 PPARG (0.92) PPARGGAAMAPTGCGRALDH1A1
SCHEMBL5701200 0.89 PPARG (0.91) PPARGGAAMAPTGCGRALDH1A1
SCHEMBL5701287 0.82 PPARG (0.79) PPARGMAPTGCGRDRD2DRD4
SCHEMBL10411052 0.81 PPARG (0.73) PPARGGAAMAPTGCGRALDH1A1
SCHEMBL15772637 0.80 PPARG (0.58) PPARGCYP1A2CYP2A6RAB9ANPC1
SCHEMBL31314386 0.79 PPARG (0.62) PPARGGAAMAPTGCGRALDH1A1
SCHEMBL9740557 0.78 PPARG (0.56) PPARGALDH1A1DRD3CYP1A2CYP2A6
SCHEMBL5701199 0.78 PPARG (0.72) PPARGMAPTDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682484-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-26 EP claimed
US-7081465-B2 Alpha-substituted naphthyloxy omega-substituted alky/aryl amino-substituted alkane derivatives as agent for treatment or prophylaxis of diabetes and related metabolic disorders COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-25 US claimed
WO-2005042465-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-05-12 WO claimed
EP-1682484-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-26 EP disclosed
WO-2005042465-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-05-12 WO disclosed