SCHEMBL21030772

SCHEMBL21030772

C=CCC(F)c1cc(C)no1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
VHL P40337 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5315064 0.76 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2HCAR2VHL
SCHEMBL21030775 0.74 TRPM8 (0.34)
SCHEMBL17809498 0.72
SCHEMBL21030776 0.70
SCHEMBL24710858 0.70
SCHEMBL10158198 0.68 HCAR2 (0.38) ALDH1A1SMN1; SMN2HCAR2VHLKMT2A
SCHEMBL10158190 0.66 HCAR2 (0.32) ALDH1A1SMN1; SMN2HCAR2
SCHEMBL468941 0.65
SCHEMBL18881405 0.65 POLB (0.38) ALDH1A1SMN1; SMN2HCAR2VHLMEN1
SCHEMBL28222965 0.64 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HCAR2VHLMEN1

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-2019101906-A1 NOVEL BRADYKININ B2 RECEPTOR ANTAGONISTS PHARVARIS B.V. (NL) 2019-05-31 WO disclosed