SCHEMBL12466338

SCHEMBL12466338

Cn1cnc2ccc(CNC(=O)N3CCC(Cc4ccccc4)CC3)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
GRIN2B Q13224 1/20 0.50
FAAH O00519 5/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL12466669 0.79 MEN1 (0.65) MEN1KMT2AGRIN2BFAAHPOLB
SCHEMBL12685786 0.77 MEN1 (0.65) MEN1KMT2AGRIN2BFAAHPOLB
SCHEMBL12466320 0.76 MEN1 (0.62) MEN1KMT2AGRIN2BFAAHUSP2
SCHEMBL12466583 0.75 MEN1 (0.85) MEN1KMT2AGRIN2BFAAHPOLB
SCHEMBL12685846 0.75 MEN1 (0.85) MEN1KMT2AGRIN2BFAAHPOLB
SCHEMBL12685780 0.75 MEN1 (0.85) MEN1KMT2AGRIN2BFAAHPOLB
Hydrochloric Acid SCHEMBL12466326 0.74 MEN1 (0.83) MEN1KMT2AGRIN2BFAAHPOLB
SCHEMBL12466627 0.74 MEN1 (0.70) MEN1KMT2AGRIN2BFAAHPOLB
SCHEMBL12685841 0.74 MEN1 (0.70) MEN1KMT2AGRIN2BFAAHPOLB
SCHEMBL12466655 0.74 MEN1 (0.77) MEN1KMT2AGRIN2BFAAHPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668157-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS Proximagen Limited (GB) 2013-12-04 EP disclosed
EP-2668182-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC Discovery GmbH (DE) 2013-12-04 EP disclosed
WO-2012101261-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC DISCOVERY GMH (DE) 2012-08-02 WO disclosed
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 WO disclosed