SCHEMBL9623178

SCHEMBL9623178

O=C(NCC1(O)CN2CCC1CC2)c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.50
PREP P48147 2/20 0.50
CNR2 P34972 1/20 0.47
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA7 P36544 1/20 0.45

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
Fumaric Acid SCHEMBL9623008 0.93 HTR4 (0.47) HTR4PREPCNR2PRMT5WDR77
Fumaric Acid SCHEMBL9623002 0.93 HTR4 (0.47) HTR4PREPCNR2PRMT5WDR77
SCHEMBL9623103 0.79 CHRNA7 (0.54) CNR2CHRNA7HTR3AKMT2A
SCHEMBL9458315 0.78 PREP (0.48) HTR4PREPCNR2PRMT5WDR77
SCHEMBL590971 0.77 PREP (0.49) HTR4PREPCNR2PRMT5WDR77
SCHEMBL9622442 0.76 BCHE (0.52) HTR4HDAC1HDAC2HDAC3KMT2A
SCHEMBL7398258 0.75 KMT2A (0.54) HTR4PREPPRMT5WDR77CHRNA7
SCHEMBL9078900 0.75 CNR2 (0.50) HTR4PREPCNR2PRMT5WDR77
SCHEMBL10078783 0.74 HTR4 (0.48) HTR4PREPCNR2PRMT5WDR77
SCHEMBL8422190 0.72 HTR4 (0.72) HTR4PREPPRMT5WDR77

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
US-5137895-A Antiemetic, anxiolytic, gastric emptying and serotonin modulating activity A. H. ROBINS COMPANY, INCORPORATED (US) 1992-08-11 US claimed