SCHEMBL1848627

SCHEMBL1848627

O=C(NC(=O)C1(c2ccccc2)CCNCC1)c1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(O)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.38
HDAC1 Q13547 1/20 0.37
EPHX2 P34913 1/20 0.36
EP300 Q09472 4/20 0.35
TACR1 P25103 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPT P10636 1/20 0.34
FTO Q9C0B1 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
OPRM1 P35372 1/20 0.32

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
SCHEMBL1848299 0.90 EP300 (0.47) ROCK2HDAC1EP300MAPTCNR1
SCHEMBL1852052 0.86 EP300 (0.39) ROCK2HDAC1EPHX2EP300TACR1
SCHEMBL1850509 0.86 HDAC1 (0.38) ROCK2HDAC1EPHX2EP300TACR1
SCHEMBL1849353 0.86 EP300 (0.36) ROCK2HDAC1EPHX2EP300TACR1
SCHEMBL1847877 0.84 EP300 (0.37) ROCK2EPHX2EP300OPRM1
SCHEMBL1847919 0.84 EP300 (0.37) ROCK2HDAC1EPHX2EP300TACR1
SCHEMBL1848723 0.82 EP300 (0.36) ROCK2EPHX2EP300CNR1CNR2
SCHEMBL1848054 0.81 PRKAB2 (0.38) ROCK2HDAC1EPHX2EP300TACR1
SCHEMBL1127889 0.81 CNR1 (0.40) ROCK2HDAC1TACR1CNR1CNR2
SCHEMBL1847448 0.80 LMNA (0.34) ROCK2HDAC1EPHX2EP300TACR1

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