SCHEMBL15534876

SCHEMBL15534876

COC(=O)C1CCCCC1CNC(=O)c1c(N)ccc(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.38
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
CNR2 P34972 1/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 1/20 0.34
MMP13 P45452 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR4 Q13639 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
HPGD P15428 2/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
BCL2A1 Q16548 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL15535647 0.82 DRD2 (0.47) DRD2TAS1R3TAS1R1HTR3EHTR3B
SCHEMBL15534816 0.82 P2RX7 (0.47) DRD2TAS1R3TAS1R1HTR3EHTR3B
SCHEMBL15535203 0.79 GNRHR (0.48) CNR2HTR4
SCHEMBL15535202 0.79 GNRHR (0.48) CNR2HTR4
SCHEMBL1666992 0.79 ALDH1A1 (0.46) DRD2SLC6A2SLC6A4HTR3EHTR3B
SCHEMBL22447716 0.75 DRD2 (0.44) DRD2HTR3EHTR3BHTR3AHTR4
SCHEMBL1666286 0.68 SLC6A2 (0.40) CNR2SLC6A2SLC6A4HPGDKDM4E
SCHEMBL1668136 0.68 HPGD (0.50) HPGDSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL10169374 0.68 EPHX1 (0.46) DRD2SLC6A2ALDH1A1GAAHTT
SCHEMBL10169373 0.68 EPHX1 (0.46) DRD2SLC6A2ALDH1A1GAAHTT

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-2013177349-A2 QUINAZOLINEDIONES AS TANKYRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-28 WO disclosed