SCHEMBL17205764

SCHEMBL17205764

O=C(CCCc1cccs1)NCc1ccc(O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.66
▸ USP2 O75604 1/20 0.62
▸ HPGD P15428 3/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ POLB P06746 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MAPT P10636 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ APBA1 Q02410 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50

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
SCHEMBL17205496 0.86 USP2 (0.62) TRPV1USP2HPGDRAB9APOLB
SCHEMBL17205973 0.86 USP2 (0.84) TRPV1USP2HPGDPOLBMEN1
SCHEMBL17203130 0.85 NPC1 (0.73) TRPV1USP2HPGDRAB9APOLB
SCHEMBL17205667 0.82 TRPV1 (0.67) TRPV1USP2HPGDRAB9APOLB
SCHEMBL17205660 0.81 NAMPT (0.65) TRPV1USP2RAB9APOLBMEN1
SCHEMBL17205509 0.80 TRPV1 (1.00) TRPV1HPGDPOLBMEN1KMT2A
SCHEMBL17206250 0.79 HPGD (0.75) TRPV1USP2HPGDRAB9APOLB
SCHEMBL17205675 0.79 TRPV1 (0.84) TRPV1USP2HPGDMEN1KMT2A
SCHEMBL26393850 0.79 TRPV1 (1.00) TRPV1MEN1KMT2ALMNA
SCHEMBL13438260 0.78 USP2 (0.93) USP2HPGDPOLBMEN1KMT2A

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 2 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
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