SCHEMBL3934412

SCHEMBL3934412

CC(C)(C)OC(=O)N1CCC(COCC(F)c2cc(Cl)cc3cn(COCC[Si](C)(C)C)nc23)(c2ccc(F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.38
F2RL1 P55085 2/20 0.35
SLC6A4 P31645 3/20 0.35
KCNH2 Q12809 3/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KDM1A O60341 1/20 0.33
CCR5 P51681 3/20 0.33
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL3923286 0.93 TACR1 (0.38) TACR1F2RL1SLC6A4KCNH2CNR1
SCHEMBL3933795 0.92 TACR1 (0.35) TACR1SLC6A4KCNH2
SCHEMBL3926859 0.91 TACR1 (0.37) TACR1F2RL1SLC6A4KCNH2CNR1
SCHEMBL3928951 0.91 TACR1 (0.36) TACR1F2RL1SLC6A4KCNH2CNR1
SCHEMBL3935599 0.90 TACR1 (0.37) TACR1F2RL1SLC6A4KCNH2CNR1
SCHEMBL2429754 0.90 TACR1 (0.37) TACR1F2RL1SLC6A4KCNH2CNR1
SCHEMBL12290455 0.90 TACR1 (0.37) TACR1F2RL1SLC6A4KCNH2CNR1
SCHEMBL12290807 0.90 TACR1 (0.37) TACR1F2RL1SLC6A4KCNH2CNR1
SCHEMBL3923863 0.90 TACR1 (0.35) TACR1F2RL1SLC6A4KCNH2CNR1
SCHEMBL2427186 0.89 TACR1 (0.37) TACR1F2RL1SLC6A4KCNH2CNR1

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-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed