SCHEMBL4780487

SCHEMBL4780487

O=C(NC1CC2COCC(C1)N2)c1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.60
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTR3A P46098 6/20 0.52
RB1 P06400 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL4780786 0.88 GRM5 (0.68) GRM5L3MBTL1MEN1KMT2ARB1
SCHEMBL30804734 0.85 GRM5 (0.67) GRM5L3MBTL1MEN1KMT2ARB1
SCHEMBL1116603 0.77 GRM5 (0.77) GRM5L3MBTL1MEN1KMT2AHDAC1
SCHEMBL29639471 0.77 GRM5 (0.68) GRM5L3MBTL1MEN1KMT2A
SCHEMBL4403625 0.74 GRM5 (0.68) GRM5L3MBTL1MEN1KMT2ARB1
SCHEMBL13294374 0.74 GRM5 (0.81) GRM5L3MBTL1MEN1KMT2A
SCHEMBL3462086 0.74 GRM5 (0.71) GRM5L3MBTL1MEN1KMT2AHDAC1
SCHEMBL23573560 0.72 GRM5 (0.69) GRM5L3MBTL1MEN1KMT2AHDAC1
SCHEMBL23573558 0.72 GRM5 (0.69) GRM5L3MBTL1MEN1KMT2AHDAC1
SCHEMBL15962709 0.72 GRM5 (0.69) GRM5L3MBTL1MEN1KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed