SCHEMBL7329468

SCHEMBL7329468

CO/N=C1/Cc2ccccc2C1Cc1ccc(OCC2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.38
TDP1 Q9NUW8 1/20 0.36
FFAR1 O14842 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL8654253 1.00 HTR2A (0.38) HTR2ATDP1FFAR1PARP15PARP10
SCHEMBL8653237 0.86 HTR2A (0.48) HTR2AKMT2A
SCHEMBL7329303 0.86 HTR2A (0.48) HTR2AKMT2A
SCHEMBL8652132 0.84 POLB (0.44) HTR2AMEN1KMT2AKDM4C
SCHEMBL7365725 0.84 MEN1 (0.48) FFAR1MEN1KMT2AKDM4C
SCHEMBL7328038 0.84 MEN1 (0.48) FFAR1MEN1KMT2AKDM4C
SCHEMBL7333179 0.84 MEN1 (0.48) FFAR1MEN1KMT2AKDM4C
SCHEMBL7335024 0.84 POLB (0.44) HTR2AMEN1KMT2AKDM4C
SCHEMBL8653058 0.84 HTR2A (0.40) HTR2AFFAR1
SCHEMBL7329595 0.84 HTR2A (0.40) HTR2AFFAR1

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
EP-0711271-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
WO-1995004027-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO disclosed