SCHEMBL851809

SCHEMBL851809

CC1CCC(C(=O)Nc2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.67
PRSS1 P07477 6/20 0.67
PRSS2 P07478 6/20 0.67
PRSS3 P35030 6/20 0.67
ST14 Q9Y5Y6 6/20 0.67
PLG P00747 4/20 0.67
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
IL18 Q14116 1/20 0.49
BRAF P15056 1/20 0.48

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
SCHEMBL8509703 1.00 F2 (0.67) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851253 0.88 F2 (0.52) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8509807 0.82 DRD2 (0.47) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851416 0.82 DRD2 (0.47) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8509771 0.82 DRD2 (0.47) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851603 0.81 PTPN2 (0.58) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851407 0.80 F2 (0.54) F2PRSS1PRSS2PRSS3ST14
SCHEMBL852017 0.80 ST14 (1.00) F2PRSS1PRSS2PRSS3ST14
SCHEMBL9880184 0.80 ST14 (1.00) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851814 0.79 F2 (0.78) F2PRSS1PRSS2PRSS3ST14

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
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed