SCHEMBL30397995

SCHEMBL30397995

CCCCC1CCCc2c(n(Cc3cccnc3)c3ccccc23)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
HTR6 P50406 3/20 0.44
HRH1 P35367 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TBXA2R P21731 1/20 0.41
BLM P54132 1/20 0.39
CNR2 P34972 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CXCR4 P61073 1/20 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
SCHEMBL30317399 0.84 FABP4 (0.53)
SCHEMBL30317485 0.81 FABP4 (0.52)
SCHEMBL26246955 0.80 CA1 (0.42) CA1CA2HTR6MEN1KMT2A
SCHEMBL26246952 0.80 FABP4 (0.51) CA1CA2HTR6MEN1KMT2A
SCHEMBL28983423 0.75 FABP4 (0.48) KMT2A
SCHEMBL30317372 0.75 FABP4 (0.48) KMT2A
SCHEMBL8033028 0.70 HRH1 (0.72) CA1CA2HTR6HRH1MEN1
SCHEMBL30317288 0.70 FABP4 (0.59)
SCHEMBL4127989 0.70 HRH1 (0.83) HTR6HRH1MEN1KMT2AHDAC6
SCHEMBL24155512 0.69 FABP4 (0.68)

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-4175647-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS Crescenta Biosciences (US) 2023-05-10 EP disclosed