SCHEMBL8584615

SCHEMBL8584615

CN1CCC(c2c[nH]c(NC(=O)c3ccccc3F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.56
HTR1F P30939 5/20 0.56
HCN1 O60741 1/20 0.45
POLB P06746 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
HTR1B P28222 5/20 0.43
HTR1D P28221 4/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
RAB9A P51151 3/20 0.42

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
SCHEMBL8583475 0.88 HTR1A (0.46) HTR1AHTR1FHCN1HDAC3HDAC4
SCHEMBL8587381 0.88 HTR1A (0.56) HTR1AHTR1FHDAC3HDAC4HDAC1
SCHEMBL8584386 0.87 SMN1; SMN2 (0.48) HTR1AHTR1FHDAC3HDAC4HDAC1
SCHEMBL8585944 0.86 HTR1F (0.42) HTR1AHTR1FHDAC3HDAC4HDAC1
SCHEMBL8584947 0.85 HTR1A (0.58) HTR1AHTR1FHCN1HTR1BTP53
SCHEMBL8586359 0.84 HTR1F (0.53) HTR1AHTR1FHDAC3HDAC4HDAC1
SCHEMBL8584888 0.82 ALDH1A1 (0.48) HTR1AHTR1FHTR1BHTR1DKMT2A
SCHEMBL8586100 0.81 HTR1D (0.41) HTR1AHTR1FPOLBHTR1BHTR1D
SCHEMBL8585018 0.79 HTR1D (0.40) HTR1AHTR1FHDAC3HDAC4HDAC1
SCHEMBL8636423 0.78 HTR1F (0.54) HTR1AHTR1FHDAC3HDAC4HDAC1

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-1998020875-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-05-22 WO disclosed