SCHEMBL17209262

SCHEMBL17209262

O=C(NCCc1cc2ccccc2s1)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.47
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.44
EPHX1 P07099 1/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 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
SCHEMBL17209265 0.85 EPHX1 (0.49) TRPV1MEN1KMT2AEPHX1
SCHEMBL17209263 0.81 CASR (0.54) MEN1ALDH1A1KMT2AEPHX1
SCHEMBL17209261 0.80 NAMPT (0.53) TRPV1ALDH1A1
SCHEMBL17209264 0.78 MAPT (0.50) TRPV1MEN1ALDH1A1KMT2AHPGD
SCHEMBL1806012 0.78 CYP2A6 (0.50) MEN1KMT2A
SCHEMBL1397891 0.76 CYP2A6 (0.49)
SCHEMBL24575982 0.75 TSHR (0.71) TRPV1MEN1ALDH1A1KMT2ATSHR
SCHEMBL1397414 0.75 NAMPT (0.67) TRPV1MEN1KMT2APLAAT3PLAAT5
SCHEMBL7433359 0.75 CYP2A6 (0.53) MEN1KMT2A
SCHEMBL13355180 0.74 TRPV1 (0.47) TRPV1MEN1ALDH1A1KMT2ATSHR

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-2015162216-A1 BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2015-10-29 WO disclosed