SCHEMBL17203188

SCHEMBL17203188

O=C(NCCCc1ccc(I)s1)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.73
▸ TSHR P16473 2/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ PYGL P06737 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ LIPC P11150 1/20 0.40
▸ LIPG Q9Y5X9 1/20 0.40

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 0.85 TRPV1 (1.00) TRPV1TSHRPYGLALDH1A1HPGD
SCHEMBL17203132 0.80 L3MBTL1 (0.55) TRPV1TSHREPHX2PYGLMEN1
SCHEMBL17203184 0.79 TRPV1 (0.76) TRPV1ALDH1A1HPGD
SCHEMBL24575982 0.76 TSHR (0.71) TRPV1TSHREPHX2MEN1KMT2A
SCHEMBL17202893 0.76 TRPV1 (0.77) TRPV1MEN1KMT2AALDH1A1HPGD
SCHEMBL12655254 0.75 TSHR (0.57) TRPV1TSHRPYGLMEN1KMT2A
Hydrochloric Acid SCHEMBL1815094 0.75 TSHR (0.54) TRPV1TSHREPHX2PYGLMEN1
SCHEMBL12655252 0.73 TSHR (0.51) TRPV1TSHREPHX2PYGLMEN1
SCHEMBL12655527 0.73 TSHR (0.55) TRPV1TSHRPYGLMEN1KMT2A
Hydrochloric Acid SCHEMBL1818165 0.72 TSHR (0.50) TRPV1TSHREPHX2PYGLMEN1

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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