SCHEMBL19852544

SCHEMBL19852544

CCCCCCCCC1CCCN(C(=O)OC(C)(C)C)CCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
GPR119 Q8TDV5 6/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
EPHX1 P07099 1/20 0.45
FAAH O00519 1/20 0.45
PKM P14618 1/20 0.44
BACE1 P56817 2/20 0.43
CTSD P07339 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLS O94925 1/20 0.43

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
SCHEMBL19852378 0.97 HPGD (0.51) HPGDGPR119MEN1KMT2AALDH1A1
SCHEMBL21142602 0.94 HPGD (0.55) HPGDGPR119MEN1KMT2AALDH1A1
SCHEMBL28131719 0.93 MEN1 (0.49) HPGDGPR119MEN1KMT2AALDH1A1
SCHEMBL14368873 0.92 MEN1 (0.50) HPGDGPR119MEN1KMT2AALDH1A1
SCHEMBL14368864 0.92 MEN1 (0.50) HPGDGPR119MEN1KMT2AALDH1A1
SCHEMBL4424219 0.92 MEN1 (0.50) HPGDGPR119MEN1KMT2AALDH1A1
SCHEMBL20128944 0.91 GPR119 (0.57) HPGDGPR119MEN1KMT2AHTT
SCHEMBL7512359 0.90 GPR119 (0.56) HPGDGPR119EPHX1FAAHPKM
SCHEMBL20310041 0.87 MEN1 (0.51) HPGDGPR119MEN1KMT2AALDH1A1
SCHEMBL8151168 0.85 GPR119 (0.55) HPGDGPR119EPHX1FAAHPKM

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-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed