SCHEMBL17205589

SCHEMBL17205589

O=C(CCCc1ccc(-c2ccccc2)s1)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 14/20 1.00
▸ MMP2 P08253 1/20 0.48
▸ MAOB P27338 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL17203299 0.82 TRPV1 (1.00) TRPV1
SCHEMBL17203305 0.81 TRPV1 (1.00) TRPV1
SCHEMBL17205667 0.78 TRPV1 (0.67) TRPV1
SCHEMBL6078847 0.76 TRPV1 (0.84) TRPV1
SCHEMBL14644383 0.75 TRPV1 (0.70) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL29594946 0.74 TRPV1 (0.72) TRPV1MMP2
SCHEMBL11875261 0.73 TRPV1 (0.70) TRPV1
SCHEMBL17203114 0.73 TRPV1 (0.66) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL8607007 0.71 TRPV1 (0.64) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL11305715 0.69 TSHR (0.69) TRPV1

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