SCHEMBL6639799

SCHEMBL6639799

O=C1CNCN1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.35
EPHX2 P34913 3/20 0.33
HCAR1 Q9BXC0 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 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
SCHEMBL19187751 0.73 HSD11B1 (0.30) HSD11B1
SCHEMBL1896319 0.69 MEN1 (0.40) HSD11B1EPHX2HCAR1ALDH1A1MEN1
SCHEMBL14992796 0.68 ALDH1A1 (0.38) HSD11B1EPHX2HCAR1ALDH1A1MEN1
SCHEMBL26605404 0.67 ALDH1A1 (0.50) HSD11B1EPHX2HCAR1ALDH1A1MEN1
SCHEMBL7358160 0.67 ALDH1A1 (0.50) HSD11B1EPHX2HCAR1ALDH1A1MEN1
SCHEMBL206785 0.67 MEN1 (0.49) HSD11B1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL26605861 0.67 ALDH1A1 (0.50) HSD11B1EPHX2HCAR1ALDH1A1MEN1
SCHEMBL4500488 0.65 MEN1 (0.44) HSD11B1EPHX2MEN1KMT2APOLB
SCHEMBL19188503 0.65
SCHEMBL19189131 0.65

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