SCHEMBL6640643

SCHEMBL6640643

CCOC(=O)C(Cc1ccncc1)Cc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.46
EPHX2 P34913 6/20 0.45
PPARG P37231 3/20 0.45
CDC7 O00311 4/20 0.44
DBF4 Q9UBU7 4/20 0.44
CYP19A1 P11511 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
NAMPT P43490 3/20 0.43
MMP8 P22894 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL27231720 0.93 EPHX2 (0.52) CPB2EPHX2PPARGCDC7DBF4
SCHEMBL6640648 0.87 CPB2 (0.39) CPB2EPHX2PPARGCDC7DBF4
SCHEMBL2672559 0.86 MMP8 (0.54) CDC7DBF4CYP19A1KMT2ANAMPT
SCHEMBL5314193 0.84 CYP1A2 (0.48) CDC7DBF4CYP19A1KMT2ANAMPT
SCHEMBL2958476 0.84 ALDH1A1 (0.50) EPHX2PPARGCDC7DBF4CYP19A1
SCHEMBL5570673 0.84 CYP3A4 (0.45) CYP19A1KMT2AALDH1A1MAPT
SCHEMBL2370593 0.83 CYP19A1 (0.45) CDC7DBF4CYP19A1KMT2ANAMPT
SCHEMBL10521821 0.81 MMP8 (0.61) CPB2EPHX2PPARGKMT2AMEN1
SCHEMBL971944 0.81 MMP8 (0.50) CDC7DBF4CYP19A1KMT2ANAMPT
SCHEMBL27231867 0.81 CYP19A1 (0.44) CDC7DBF4CYP19A1KMT2ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757685-B1 NOVEL ACYCLIC AND CYCLIC AMIDES AS NEUROTRANSMITTER RELEASE ENHANCERS PFIZER (US) 2004-07-21 EP disclosed
US-5854232-A Acyclic anc cyclic amides as neurotransmitter release enhancers PFIZER INC. (US) 1998-12-29 US disclosed
EP-0757685-A1 NOVEL ACYCLIC AND CYCLIC AMIDES AS NEUROTRANSMITTER RELEASE ENHANCERS PFIZER INC. (US) 1997-02-12 EP disclosed
WO-1995029909-A1 NOVEL ACYCLIC AND CYCLIC AMIDES AS NEUROTRANSMITTER RELEASE ENHANCERS PFIZER INC. (US) 1995-11-09 WO disclosed