SCHEMBL8586359

SCHEMBL8586359

CN1CCC(c2c[nH]c(NC(=O)c3ccccc3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 12/20 0.53
HTR1A P08908 10/20 0.53
HTR1B P28222 9/20 0.53
HTR1D P28221 8/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
KDM1A O60341 2/20 0.46
MAOA P21397 2/20 0.46
KDM1B Q8NB78 2/20 0.46
RCOR1 Q9UKL0 2/20 0.46
NPC1 O15118 1/20 0.44

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
SCHEMBL8636423 0.89 HTR1F (0.54) HTR1FHTR1AHTR1BHTR1DHDAC3
SCHEMBL8584266 0.88 HDAC3 (0.48) HTR1FHTR1AHTR1BHTR1DHDAC3
SCHEMBL8582998 0.88 DRD2 (0.52) HTR1FHTR1AHTR1BHTR1DHDAC3
SCHEMBL8586783 0.87 CHRM1 (0.48) HTR1FHDAC3HDAC4HDAC1HDAC7
SCHEMBL8587553 0.86 NPC1 (0.48) HTR1FHTR1AHTR1BHTR1DHDAC3
SCHEMBL8587381 0.85 HTR1A (0.56) HTR1FHTR1AHTR1BHTR1DHDAC3
SCHEMBL8583475 0.85 HTR1A (0.46) HTR1FHTR1AHTR1BHTR1DHDAC3
SCHEMBL8609905 0.84 HTR1F (0.51) HTR1FHDAC3HDAC4HDAC1HDAC7
SCHEMBL8586794 0.84 HTR1A (0.58) HTR1FHTR1AHTR1BHTR1DHDAC3
SCHEMBL8653320 0.84 HTR1A (0.61) HTR1FHTR1AHTR1BHTR1DNPC1

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