SCHEMBL4780786

SCHEMBL4780786

O=C(NC1CC2CCC(C1)N2)c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.68
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
RB1 P06400 1/20 0.54
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CCR3 P51677 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
HTR2B P41595 1/20 0.48
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 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
SCHEMBL4780487 0.88 GRM5 (0.60) GRM5L3MBTL1KMT2AMEN1RB1
SCHEMBL1116603 0.84 GRM5 (0.77) GRM5L3MBTL1KMT2AMEN1HDAC1
SCHEMBL6820719 0.83 GRM5 (0.68) GRM5L3MBTL1KMT2AMEN1
SCHEMBL7799604 0.82 MEN1 (0.54) GRM5KMT2AMEN1HPGD
SCHEMBL1543228 0.80 HPGDS (0.62) GRM5
SCHEMBL16496615 0.80 HPGDS (0.62) GRM5
SCHEMBL1543176 0.80 HPGDS (0.62) GRM5
SCHEMBL1543178 0.80 HPGDS (0.62) GRM5
SCHEMBL4403625 0.80 GRM5 (0.68) GRM5L3MBTL1KMT2AMEN1RB1
SCHEMBL13294374 0.80 GRM5 (0.81) GRM5L3MBTL1KMT2AMEN1HTR2B

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