SCHEMBL6073070

SCHEMBL6073070

CCOC(=O)CN(Cc1ccc(OCCn2c(C)nc3ccccc3c2=O)cc1)C(=O)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
PTGER4 P35408 1/20 0.40
CXCR3 P49682 1/20 0.40
POLB P06746 2/20 0.39
EIF4EBP1 Q13541 1/20 0.39
GSR P00390 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
CACNA1B Q00975 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6073251 0.90 CYP1A2 (0.46) POLBMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL6073134 0.87 CYP1A2 (0.44) RXFP1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6073126 0.85 POLB (0.47) POLBRXFP1ALDH1A1KDM4EMAPT
SCHEMBL6073213 0.83 LMNA (0.46) POLBEIF4EBP1RXFP1ALDH1A1KDM4E
SCHEMBL6073125 0.82 PPARA (0.51) POLBRXFP1ALDH1A1KDM4EMAPT
SCHEMBL6073209 0.80 PPARA (0.50) RXFP1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6073497 0.78 OPRK1 (0.46) FAAHALDH1A1KDM4EMAPT
SCHEMBL6073491 0.78 PPARG (0.53)
SCHEMBL6073238 0.77 NPSR1 (0.45) FAAHALDH1A1KDM4EMAPTLMNA
SCHEMBL6073205 0.77 PPARG (0.55) POLBRXFP1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006117743-A1 SUBSTITUTED AROMATIC COMPOUNDS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed