SCHEMBL30005875

SCHEMBL30005875

O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)c1ccccc1S(=O)(=O)NCCOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
PTPN11 Q06124 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
PTGDR Q13258 1/20 0.42

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
SCHEMBL30005773 0.88 TRPV4 (0.50) TRPV4HTTLMNASMN1; SMN2MAPT
SCHEMBL30006605 0.84 TRPV4 (0.57) TRPV4HTTLMNASMN1; SMN2MAPT
SCHEMBL30006441 0.83 MAPT (0.60) TRPV4HTTLMNASMN1; SMN2MAPT
SCHEMBL30005576 0.83 TRPV4 (0.55) TRPV4HTTLMNASMN1; SMN2MAPT
SCHEMBL30005897 0.79 ALDH1A1 (0.55) TRPV4HTTLMNASMN1; SMN2MAPT
SCHEMBL30005853 0.79 TRPV4 (0.57) TRPV4HTTLMNASMN1; SMN2MAPT
SCHEMBL30005407 0.78 HTT (0.55) TRPV4HTTLMNASMN1; SMN2MAPT
SCHEMBL30005315 0.77 TRPV4 (0.53) TRPV4HTTLMNASMN1; SMN2MAPT
SCHEMBL30005867 0.76 TRPV4 (0.54) TRPV4HTTLMNASMN1; SMN2MAPT
SCHEMBL23228915 0.75 LMNA (0.53) TRPV4HTTLMNASMN1; SMN2MAPT

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