SCHEMBL4693012

SCHEMBL4693012

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4ccccc4C(F)(F)F)CC3C2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.51
F2R P25116 1/20 0.45
PTGES O14684 3/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
GRIN2B Q13224 2/20 0.43
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4694022 0.93 P2RX7 (0.47) NPY2RKMT2A
SCHEMBL4691177 0.92 NPY2R (0.43) NPY2RF2RLMNAKMT2AMEN1
SCHEMBL4693167 0.90 HCRTR1 (0.50) LMNAKMT2AMEN1TP53POLB
SCHEMBL4692104 0.90 HCRTR1 (0.50) NPY2RLMNAKMT2AMEN1GRIN2B
SCHEMBL4692884 0.89 LMNA (0.48) LMNAKMT2AMEN1GAATP53
SCHEMBL4691903 0.88 MEN1 (0.55) NPY2RLMNAKMT2AMEN1GAA
SCHEMBL4690176 0.88 ABL1 (0.44) NPY2RLMNAKMT2AMEN1TP53
SCHEMBL4693690 0.87 HCRTR1 (0.51) NPY2RF2RLMNAKMT2AMEN1
SCHEMBL4694236 0.87 EPHX2 (0.44) LMNAKMT2AMEN1GAATP53
SCHEMBL4693018 0.87 NPY2R (0.47) NPY2RPTGESGAAGRIN2BSMN1; SMN2

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-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed