SCHEMBL8042668

SCHEMBL8042668

CC/N=C(\c1nc(N(CCCN2CCN(C)CC2)CC2CCCC2)[nH]c(=O)c1C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 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
SCHEMBL8033607 0.69 KDM4E (0.36)
SCHEMBL4123024 0.64 ALDH1A1 (0.36) HTR2AHTR2CHTR7
SCHEMBL8053716 0.61 EED (0.32)
SCHEMBL8043252 0.61 KDM4E (0.36)
SCHEMBL4139405 0.60 KDM4E (0.34) HTR2AHTR2CHTR7
SCHEMBL8042659 0.60 KDM4E (0.37)
SCHEMBL8031553 0.60 KDM4E (0.34)
SCHEMBL4132580 0.59 KDM4E (0.35)
SCHEMBL8045132 0.55 KDM4E (0.41)
SCHEMBL12359572 0.54 SIGMAR1 (0.50)

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-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed