SCHEMBL211687

SCHEMBL211687

COC(=O)CCC[C@@H](COC(=O)Nc1cc(-c2ccccc2)nn1C)N(NCc1cccc(F)c1F)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
RAB9A P51151 1/20 0.40
GPR142 Q7Z601 3/20 0.35
POLB P06746 1/20 0.34
NTRK1 P04629 2/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
SOAT2 O75908 2/20 0.32
SOAT1 P35610 2/20 0.32
GRM5 P41594 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL211943 0.94 MAPT (0.41) MAPTRAB9AGPR142POLBNTRK1
SCHEMBL210849 0.89 TRPV4 (0.32) GRM5
SCHEMBL2726206 0.87 MAPT (0.40) MAPTRAB9AGPR142POLBNTRK1
SCHEMBL212791 0.87 MAPT (0.40) MAPTRAB9A
SCHEMBL213271 0.85 SCD5 (0.34) MAPTRAB9APOLBLMNA
SCHEMBL211534 0.83 CSNK2A2 (0.40) RAB9A
SCHEMBL212044 0.83 GRM5 (0.31) GRM5
SCHEMBL210463 0.82 MAPT (0.41) MAPTRAB9A
SCHEMBL211855 0.81 MAPK14 (0.31) NTRK1
SCHEMBL211083 0.81 CTSK (0.35) RAB9A

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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed