SCHEMBL30285477

SCHEMBL30285477

N#Cc1ccc(OCC(F)F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 19/20 0.49
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 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
SCHEMBL11963218 0.85 TRPV4 (0.48) TRPV4CYP11B1CYP11B2
SCHEMBL19128162 0.81 TRPV4 (0.48) TRPV4CYP11B1CYP11B2
SCHEMBL772850 0.80 TRPV4 (0.51) TRPV4
SCHEMBL7323185 0.79 CYP11B1 (0.65) TRPV4CYP11B1CYP11B2
SCHEMBL559898 0.77 TRPV4 (0.48) TRPV4CYP11B1CYP11B2
SCHEMBL14299588 0.77 TRPV4 (0.47) TRPV4
SCHEMBL23674346 0.77 TRPV4 (0.46) TRPV4CYP11B1CYP11B2
SCHEMBL3565152 0.77 CYP11B1 (0.45) TRPV4CYP11B1CYP11B2
SCHEMBL13481174 0.77 CYP11B1 (0.51) TRPV4CYP11B1CYP11B2
SCHEMBL9244079 0.77 CYP11B1 (0.51) TRPV4CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396176-A1 INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS GENZYME CORPORATION (US) 2024-07-10 EP disclosed
WO-2023034946-A1 INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS GENZYME CORPORATION (US) 2023-03-09 WO disclosed