SCHEMBL30105058

SCHEMBL30105058

O=C(Nc1cccc(SC(F)(F)F)c1)Nc1cc(F)ccc1CCO

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.53
GRIK1 P39086 2/20 0.48
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
RXFP1 Q9HBX9 3/20 0.44
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
BRAF P15056 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
MTOR P42345 1/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL23831892 1.00 TRPV1 (0.53) TRPV1GRIK1MEN1MAPTKMT2A
SCHEMBL23832045 0.91 TRPV1 (0.56) TRPV1GRIK1MEN1MAPTKMT2A
SCHEMBL30105060 0.91 TRPV1 (0.56) TRPV1GRIK1MEN1MAPTKMT2A
SCHEMBL30105296 0.88 TRPV1 (0.52) TRPV1GRIK1MEN1MAPTKMT2A
SCHEMBL23831639 0.88 TRPV1 (0.52) TRPV1GRIK1MEN1MAPTKMT2A
SCHEMBL23831741 0.88 TRPV1 (0.59) TRPV1GRIK1MEN1MAPTKMT2A
SCHEMBL30104994 0.87 MEN1 (0.55) TRPV1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL23831689 0.87 MEN1 (0.55) TRPV1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL23831816 0.85 MEN1 (0.60) TRPV1GRIK1MEN1MAPTKMT2A
SCHEMBL23831647 0.81 EPHX2 (0.47) TRPV1GRIK1MEN1MAPTKMT2A

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-4121415-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-01-25 EP disclosed