SCHEMBL15534658

SCHEMBL15534658

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.44
POLB P06746 1/20 0.43
HTR4 Q13639 3/20 0.38
ACHE P22303 1/20 0.38
PTGER4 P35408 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
DRD2 P14416 4/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL15534659 1.00 GNRHR (0.44) GNRHRPOLBHTR4ACHEPTGER4
SCHEMBL15534935 0.91 MEN1 (0.47) GNRHRPOLBPTGER4MEN1KMT2A
SCHEMBL15535202 0.88 GNRHR (0.48) GNRHRHTR4PTGER4CNR1CNR2
SCHEMBL15535203 0.88 GNRHR (0.48) GNRHRHTR4PTGER4CNR1CNR2
SCHEMBL15534872 0.79 CCNA2 (0.45) GNRHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL15534871 0.79 CCNA2 (0.45) GNRHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL12798265 0.76 ALDH1A1 (0.48) GNRHRPOLBHTR4HDAC3HDAC4
SCHEMBL1668907 0.76 ALDH1A1 (0.48) GNRHRPOLBHTR4HDAC3HDAC4
SCHEMBL1666506 0.76 ALDH1A1 (0.48) GNRHRPOLBHTR4HDAC3HDAC4
SCHEMBL11893819 0.76 ALDH1A1 (0.48) GNRHRPOLBHTR4HDAC3HDAC4

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