SCHEMBL27748832

SCHEMBL27748832

NCc1ccc([C@H]2CC[C@H](C3CCC(C=O)CC3)CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.35
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KLKB1 P03952 2/20 0.32
RORC P51449 4/20 0.32
CTSC P53634 3/20 0.31
CTSK P43235 2/20 0.31
HTR1D P28221 2/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL7027451 0.84 PANK3 (0.38) PANK3KDM5AKDM4CKDM5BKLKB1
SCHEMBL29673217 0.84 PANK3 (0.39) PANK3KDM5AKDM4CKDM5BKLKB1
SCHEMBL8385781 0.83 KDM5A (0.37) PANK3KDM5AKDM4CKDM5BRORC
SCHEMBL7027448 0.83 KDM5A (0.37) PANK3KDM5AKDM4CKDM5BRORC
SCHEMBL8387916 0.83 KDM5A (0.37) PANK3KDM5AKDM4CKDM5BRORC
SCHEMBL2272522 0.83 USP5 (0.37) HTR2AHTR2CHTR2B
SCHEMBL8451674 0.83 USP5 (0.37) HTR2AHTR2CHTR2B
SCHEMBL2272518 0.83 USP5 (0.37) HTR2AHTR2CHTR2B
SCHEMBL2272516 0.83 USP5 (0.37) HTR2AHTR2CHTR2B
SCHEMBL4331522 0.79 SLC6A3 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490026-B 2-oxetanone derivative and process for production thereof CHISSO CORP 2012-11-21 CN disclosed
CN-101490026-A 2-oxetanone derivative and process for production thereof CHISSO CORP (JP) 2009-07-22 CN disclosed