SCHEMBL6640648

SCHEMBL6640648

CCOC(=O)C(Cc1ccncc1)Cc1ccoc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.39
EPHX2 P34913 7/20 0.38
PPARG P37231 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
CDC7 O00311 3/20 0.36
DBF4 Q9UBU7 3/20 0.36
NAMPT P43490 3/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
CYP19A1 P11511 1/20 0.36
CETP P11597 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL6640643 0.87 CPB2 (0.46) CPB2EPHX2PPARGCDC7DBF4
SCHEMBL27231720 0.81 EPHX2 (0.52) CPB2EPHX2PPARGCDC7DBF4
SCHEMBL6779373 0.76 SLC1A3 (0.44) TRPM8MAPTPKMCETP
SCHEMBL2672559 0.75 MMP8 (0.54) CDC7DBF4NAMPTMAPTPKM
SCHEMBL5314193 0.73 CYP1A2 (0.48) CDC7DBF4NAMPTMAPTPKM
SCHEMBL2958476 0.73 ALDH1A1 (0.50) EPHX2PPARGCDC7DBF4NAMPT
SCHEMBL5570673 0.73 CYP3A4 (0.45) POLBMAPTCYP19A1KMT2A
SCHEMBL2370593 0.72 CYP19A1 (0.45) CDC7DBF4NAMPTMAPTCYP19A1
SCHEMBL20543397 0.71 SCN9A (0.39) TRPM8MAPTCETP
SCHEMBL1127510 0.71 SMN1; SMN2 (0.46) TRPM8PKMGAAKMT2AMEN1

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