SCHEMBL8385333

SCHEMBL8385333

O=C(Nc1ccc(Br)c(Cl)c1)Nc1ccc2[nH]cc(C3=CCN4CCCCC4C3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 12/20 0.40
HTR1D P28221 8/20 0.39
HTR1B P28222 6/20 0.39
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
HTR1A P08908 6/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL8385402 0.87 MAPT (0.41) HTR1DHTR1BMAPTLMNAMEN1
SCHEMBL8385487 0.84 HTR1F (0.45) HTR1FHTR1DHTR1BMAPTSMN1; SMN2
SCHEMBL8385510 0.81 HTR1F (0.59) HTR1FHTR1DHTR1BHTR1APARP1
SCHEMBL8385395 0.80 HTR1F (0.53) HTR1FHTR1DHTR1BNPC1HTR1A
SCHEMBL8386633 0.80 NOS3 (0.41) HTR1DHTR1BMAPTLMNAMEN1
SCHEMBL8724084 0.79 HTR1F (0.60) HTR1FHTR1DHTR1BHTR1A
SCHEMBL8385462 0.77 HTR1F (0.62) HTR1FHTR1DHTR1BHTR1A
SCHEMBL8725966 0.77 HTR1F (0.46) HTR1FHTR1DHTR1BMAPTHTR1A
SCHEMBL8384351 0.75 HTR1F (0.41) HTR1FHTR1DHTR1BKMT2AHTR1A
SCHEMBL8386478 0.75 HTR1F (0.48) HTR1FHTR1DHTR1BHTR1APARP1

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