SCHEMBL26497738

SCHEMBL26497738

C=CC(=O)N1CCN(c2ncccc2C(=O)c2ccc(C(C)(F)F)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ BTK Q06187 2/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ TRPV1 Q8NER1 5/20 0.40
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KRAS P01116 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ TRPA1 O75762 2/20 0.37

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
SCHEMBL30591753 0.92 HSD11B1 (0.44) GAABTKHSD11B1TRPV1F13A1
SCHEMBL26105982 0.92 HSD11B1 (0.44) GAABTKHSD11B1TRPV1F13A1
SCHEMBL26496957 0.86 BTK (0.42) GAABTKHSD11B1TRPV1F13A1
SCHEMBL30591767 0.80 TRPV1 (0.44) GAAHSD11B1TRPV1ALDH1A1NPSR1
SCHEMBL26497733 0.80 TRPV1 (0.44) GAAHSD11B1TRPV1NPSR1KRAS
SCHEMBL26497743 0.79 GAA (0.41) GAAHSD11B1TRPV1F13A1TGM2
SCHEMBL30591869 0.78 HTR1A (0.41) GAABTKHSD11B1TRPV1F13A1
SCHEMBL26108174 0.78 HTR1A (0.41) GAABTKHSD11B1TRPV1F13A1
SCHEMBL30591947 0.76 TRPV1 (0.50) GAAHSD11B1TRPV1ALDH1A1NPSR1
SCHEMBL26111510 0.76 TRPV1 (0.50) GAAHSD11B1TRPV1ALDH1A1NPSR1

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-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 — — WO disclosed
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