SCHEMBL8587381

SCHEMBL8587381

Cc1ccccc1C(=O)Nc1cc(C2CCN(C)CC2)c[nH]1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.56
HTR1F P30939 2/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
CCR8 P51685 11/20 0.46
CCR1 P32246 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
BTK Q06187 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 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 0.89 HTR1A (0.46) HTR1AHTR1FHTR1DHTR1BHDAC3
SCHEMBL8584386 0.88 SMN1; SMN2 (0.48) HTR1AHTR1FHTR1DHTR1BL3MBTL1
SCHEMBL8584615 0.88 HTR1A (0.56) HTR1AHTR1FHTR1DHTR1BHDAC3
SCHEMBL8584947 0.86 HTR1A (0.58) HTR1AHTR1FHTR1B
SCHEMBL8586359 0.85 HTR1F (0.53) HTR1AHTR1FHTR1DHTR1BHDAC3
SCHEMBL8584888 0.83 ALDH1A1 (0.48) HTR1AHTR1FHTR1DHTR1B
SCHEMBL8636423 0.81 HTR1F (0.54) HTR1AHTR1FHTR1DHTR1BCCR1
SCHEMBL8585944 0.81 HTR1F (0.42) HTR1AHTR1FHTR1DHTR1BHDAC3
SCHEMBL8584756 0.79 HTR1D (0.51) HTR1AHTR1FHTR1DHTR1BL3MBTL1
SCHEMBL8583210 0.79 HTR1A (0.56) HTR1AHTR1FHTR1DHTR1B

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