SCHEMBL2868656

SCHEMBL2868656

CCN(CC)Cc1c[c]c(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PYCR1 P32322 1/20 0.39
HTR1A P08908 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
CNR2 P34972 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
SCHEMBL622952 0.80 HRH3 (0.46) HRH3HDAC6HTR1AHTR2CHTR7
SCHEMBL192755 0.77
SCHEMBL5422730 0.74 HRH3 (0.47) HRH3HDAC8HDAC6PYCR1
SCHEMBL193200 0.74 LPL (0.38) CNR2
SCHEMBL7768079 0.73 HRH3 (0.84) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL11366830 0.73 HRH3 (0.67) HRH3HDAC8HDAC6PYCR1
SCHEMBL597601 0.72
SCHEMBL28869387 0.71 CA2 (0.41) HTR2C
SCHEMBL192222 0.69 P2RX7 (0.34)
SCHEMBL597388 0.69

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-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO disclosed