SCHEMBL8385487

SCHEMBL8385487

O=C(Nc1ccc(F)c(F)c1)Nc1ccc2[nH]cc(C3=CCN4CCCC4C3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 14/20 0.45
HTR1D P28221 9/20 0.45
HTR1B P28222 8/20 0.45
HTR1A P08908 8/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR1E P28566 1/20 0.35
HTR4 Q13639 1/20 0.35
MAPT P10636 1/20 0.35
KCNJ6 P48051 2/20 0.34
KCNJ5 P48544 2/20 0.34
KCNJ3 P48549 2/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL8383659 0.87 MAPT (0.43) HTR1FHTR1DHTR1BHTR1ANPC1
SCHEMBL8385333 0.84 HTR1F (0.40) HTR1FHTR1DHTR1BHTR1ANPC1
SCHEMBL8724084 0.83 HTR1F (0.60) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL8381812 0.82 HTR1F (0.63) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL8385510 0.80 HTR1F (0.59) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL8385395 0.80 HTR1F (0.53) HTR1FHTR1DHTR1BHTR1ANPC1
SCHEMBL8385462 0.79 HTR1F (0.62) HTR1FHTR1DHTR1BHTR1AHTR2A
Fumaric Acid SCHEMBL8386515 0.78 HTR1F (0.59) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL8382171 0.78 NOS3 (0.44) HTR1DHTR1BMAPT
SCHEMBL8386631 0.78 HTR1F (0.56) HTR1FHTR1DHTR1BHTR1AHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874427-A MIGRAINE ELI LILLY AND COMPANY (US) 1999-02-23 US disclosed
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed