SCHEMBL13715348

SCHEMBL13715348

CCCc1c[nH]c2cc(F)c(F)cc12

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.67
HTR1A P08908 5/20 0.50
MPO P05164 8/20 0.49
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
MTNR1A P48039 1/20 0.48
HTR2A P28223 3/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL16454430 0.86 GPR84 (0.71) GPR84HTR1AMPOMTNR1AHTR2A
SCHEMBL30346543 0.86 GPR84 (0.62) GPR84HTR1AMPOHTR1DHTR1B
SCHEMBL24358682 0.85 GPR84 (0.71) GPR84HTR1AMPOHTR1DHTR1B
SCHEMBL29206456 0.84 HTR2A (0.63) GPR84HTR1AMPOHTR1DHTR1B
SCHEMBL30877226 0.84 HTR2A (0.63) GPR84HTR1AMPOHTR1DHTR1B
SCHEMBL13715692 0.83 GPR84 (0.69) GPR84HTR1AMPOHTR1DHTR1B
SCHEMBL2539018 0.83 GPR84 (0.69) GPR84HTR1AMPOHTR1DHTR1B
SCHEMBL13497613 0.82 GPR84 (0.46) GPR84HTR1AMPOMTNR1AHTR2A
SCHEMBL14961013 0.82 MTNR1A (0.56) GPR84HTR1AMPOHTR1DHTR1B
SCHEMBL31158597 0.82 HTR2A (0.57) GPR84HTR1AMPOHTR1DHTR1B

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
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 EP disclosed