SCHEMBL7983670

SCHEMBL7983670

CCNC(Cc1ccc(-c2ccc(OC)cc2CC)cc1)C(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
SRD5A2 P31213 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
MMP1 P03956 2/20 0.38
CRHR1 P34998 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
LDHA P00338 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 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
SCHEMBL14301451 1.00 MTNR1A (0.43) MTNR1AMTNR1BKDM4ECYP1A2CYP2D6
SCHEMBL14301286 0.87 MTNR1A (0.41) MTNR1AMTNR1BKDM4ECYP1A2CYP2D6
SCHEMBL14640070 0.85 JAK1 (0.42) PPARAPPARGMMP1
SCHEMBL12302732 0.84 LDHA (0.53) LDHAKMT2A
SCHEMBL8222429 0.81 KDM4E (0.42) MTNR1AMTNR1BKDM4ECYP1A2CYP2D6
SCHEMBL15219934 0.81 KDM4E (0.42) MTNR1AMTNR1BKDM4ECYP1A2CYP2D6
SCHEMBL14301450 0.81 PPARA (0.49) PPARAPPARGITGB1ITGA4FFAR1
SCHEMBL7997577 0.79 SRD5A2 (0.40) MTNR1AMTNR1BKDM4ECYP1A2CYP2D6
SCHEMBL14275445 0.78 MTNR1A (0.39) MTNR1AMTNR1BKDM4ECYP1A2CYP2D6
SCHEMBL10064168 0.78 MTNR1A (0.39) MTNR1AMTNR1BKDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011048614-A2 SHORT CHAIN PEPTIDOMIMETICS BASED ORALLY ACTIVE GLP-1 AGONIST AND GLUCAGON RECEPTOR ANTAGONIST CADILA HEALTHCARE LIMITED (IN) 2011-04-28 WO disclosed
WO-2009125424-A2 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP-1 AGONISTIC ACTIVITIES CADILA HEALTHCARE LIMITED (IN) 2009-10-15 WO disclosed
WO-2008062457-A2 ANTIDIABETIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO disclosed