SCHEMBL1848882

SCHEMBL1848882

O=C(NC(=O)C1(NCCC(F)(F)F)CCNCC1)c1cc(-c2ccc(OCCCO)cc2)c(-c2ccc(F)cc2Cl)s1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 2/20 0.36
EP300 Q09472 3/20 0.35
PRKAB2 O43741 4/20 0.34
PRKAG1 P54619 4/20 0.34
PRKAA2 P54646 4/20 0.34
PRKAA1 Q13131 4/20 0.34
PRKAG3 Q9UGI9 4/20 0.34
PRKAG2 Q9UGJ0 4/20 0.34
PRKAB1 Q9Y478 4/20 0.34
ULK1 O75385 1/20 0.32
MOGAT2 Q3SYC2 5/20 0.31
CYP2C9 P11712 2/20 0.31
MAPK14 Q16539 2/20 0.31
FFAR1 O14842 2/20 0.31
FFAR4 Q5NUL3 2/20 0.31
SCN5A Q14524 1/20 0.31
SCN8A Q9UQD0 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL1846958 0.88 MEN1 (0.36) MGAT2EP300MOGAT2CYP2C9
SCHEMBL1846837 0.84 PRKAB2 (0.37) MGAT2EP300PRKAB2PRKAG1PRKAA2
SCHEMBL1848884 0.81 OPRL1 (0.38) MGAT2PRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL2159448 0.81 OPRL1 (0.37) MGAT2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL476344 0.78 CNR1 (0.31)
SCHEMBL1847077 0.77 EP300 (0.36) MGAT2EP300PRKAB2PRKAG1PRKAA2
SCHEMBL1847309 0.77 EP300 (0.36) MGAT2EP300PRKAB2PRKAG1PRKAA2
SCHEMBL1848054 0.77 PRKAB2 (0.38) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1848735 0.75 PRKAB2 (0.34) MGAT2EP300PRKAB2PRKAG1PRKAA2
SCHEMBL1846655 0.75 PRKAB2 (0.34) MGAT2EP300PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324015-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2011-05-25 EP disclosed
WO-2010012964-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-04 WO disclosed