SCHEMBL8586100

SCHEMBL8586100

CN1CCC(c2c[nH]c(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.41
HTR1B P28222 14/20 0.41
HTR1F P30939 7/20 0.41
HTR1A P08908 5/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NAMPT P43490 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
HTR4 Q13639 1/20 0.38
MAPK7 Q13164 2/20 0.38

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
SCHEMBL8585944 0.83 HTR1F (0.42) HTR1DHTR1BHTR1FHTR1AHTR2A
SCHEMBL8584756 0.82 HTR1D (0.51) HTR1DHTR1BHTR1FHTR1A
SCHEMBL8584615 0.81 HTR1A (0.56) HTR1DHTR1BHTR1FHTR1AKDM4E
SCHEMBL8585018 0.81 HTR1D (0.40) HTR1DHTR1BHTR1FHTR1AHTR2A
SCHEMBL8586359 0.81 HTR1F (0.53) HTR1DHTR1BHTR1FHTR1AHTR2A
SCHEMBL8636423 0.80 HTR1F (0.54) HTR1DHTR1BHTR1FHTR1AHTR2A
SCHEMBL8584266 0.79 HDAC3 (0.48) HTR1DHTR1BHTR1FHTR1AHTR2A
SCHEMBL7778382 0.79 HTR1D (0.50) HTR1DHTR1BHTR1FHTR1AHTR2A
SCHEMBL8587381 0.78 HTR1A (0.56) HTR1DHTR1BHTR1FHTR1A
SCHEMBL8583475 0.78 HTR1A (0.46) HTR1DHTR1BHTR1FHTR1AALDH1A1

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