SCHEMBL17203132

SCHEMBL17203132

O=C(NCCCc1cccs1)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ TRPV1 Q8NER1 4/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PYGL P06737 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ HPGD P15428 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL17205667 0.84 TRPV1 (0.67) L3MBTL1NPC1RAB9ALMNATRPV1
SCHEMBL17203188 0.80 TRPV1 (0.73) TRPV1MEN1KMT2AALDH1A1EPHX2
SCHEMBL17202845 0.79 TRPV1 (0.76) TRPV1MEN1KMT2AALDH1A1PKM
SCHEMBL14433758 0.78 L3MBTL1 (0.58) L3MBTL1NPC1RAB9ALMNAMEN1
SCHEMBL24575982 0.77 TSHR (0.71) LMNATRPV1MEN1KMT2APOLB
SCHEMBL1565023 0.77 L3MBTL1 (0.76) L3MBTL1NPC1RAB9ALMNAMEN1
Hydrochloric Acid SCHEMBL1815094 0.76 TSHR (0.54) LMNATRPV1MEN1KMT2AALDH1A1
SCHEMBL12655254 0.76 TSHR (0.57) LMNATRPV1MEN1KMT2AALDH1A1
SCHEMBL17203261 0.76 MAPT (0.51) NPC1RAB9ALMNATRPV1MEN1
SCHEMBL12655252 0.74 TSHR (0.51) LMNATRPV1MEN1KMT2AALDH1A1

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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