SCHEMBL30005773

SCHEMBL30005773

O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)c1ccccc1S(=O)(=O)NCCO

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.50
HTT P42858 4/20 0.48
LMNA P02545 6/20 0.47
MAPT P10636 5/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.45
PTPN11 Q06124 1/20 0.45

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
SCHEMBL30006605 0.89 TRPV4 (0.57) TRPV4HTTLMNAMAPTGAA
SCHEMBL30005875 0.88 TRPV4 (0.45) TRPV4HTTLMNAMAPTGAA
SCHEMBL30005576 0.87 TRPV4 (0.55) TRPV4HTTLMNAMAPTGAA
SCHEMBL30005897 0.84 ALDH1A1 (0.55) TRPV4HTTLMNAMAPTGAA
SCHEMBL30005853 0.84 TRPV4 (0.57) TRPV4HTTLMNAMAPTGAA
SCHEMBL30005407 0.83 HTT (0.55) TRPV4HTTLMNAMAPTGAA
SCHEMBL30005867 0.81 TRPV4 (0.54) TRPV4HTTLMNAMAPTGAA
SCHEMBL30005315 0.80 TRPV4 (0.53) TRPV4HTTLMNAMAPTGAA
SCHEMBL30005706 0.79 ALDH1A1 (0.66) TRPV4HTTLMNAMAPTGAA
SCHEMBL23217102 0.78 ALDH1A1 (0.58) TRPV4HTTLMNAMAPTGAA

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed