SCHEMBL15535202

SCHEMBL15535202

COC(=O)[C@H]1CC[C@H](CNC(=O)c2c(N)ccc(C)c2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 3/20 0.48
MAPK14 Q16539 12/20 0.43
PTGER4 P35408 1/20 0.39
HTR4 Q13639 1/20 0.39
HSPB1 P04792 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK11 Q15759 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL15535203 1.00 GNRHR (0.48) GNRHRMAPK14PTGER4HTR4HSPB1
SCHEMBL15534658 0.88 GNRHR (0.44) GNRHRMAPK14PTGER4HTR4CNR1
SCHEMBL15534659 0.88 GNRHR (0.44) GNRHRMAPK14PTGER4HTR4CNR1
SCHEMBL15534871 0.81 CCNA2 (0.45) GNRHRCNR1CNR2
SCHEMBL15534872 0.81 CCNA2 (0.45) GNRHRCNR1CNR2
SCHEMBL15534935 0.79 MEN1 (0.47) GNRHRPTGER4MEN1KMT2A
SCHEMBL15534876 0.79 DRD2 (0.38) HTR4CNR2
SCHEMBL12798265 0.78 ALDH1A1 (0.48) GNRHRHTR4CNR1CNR2
SCHEMBL1666506 0.78 ALDH1A1 (0.48) GNRHRHTR4CNR1CNR2
SCHEMBL1668907 0.78 ALDH1A1 (0.48) GNRHRHTR4CNR1CNR2

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