SCHEMBL17205964

SCHEMBL17205964

O=C(CCCc1ccc(I)s1)NCCc1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 10/20 1.00
▸ MAPT P10636 4/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ HPGD P15428 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ GMNN O75496 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ IDE P14735 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ MAPK1 P28482 1/20 0.53

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
SCHEMBL17202893 0.87 TRPV1 (0.77) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL17205574 0.80 TRPV1 (0.67) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL17203312 0.79 TRPV1 (0.66) TRPV1MAPTMEN1KMT2ALMNA
SCHEMBL109158 0.79 MAPT (0.73) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL107219 0.77 MAPT (0.71) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL26393857 0.77 TRPV1 (1.00) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL24649660 0.77 MAPT (0.71) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL18273974 0.77 TRPV1 (0.75) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL23417638 0.77 MAPT (0.75) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL17205697 0.77 TRPV1 (1.00) TRPV1MEN1KMT2AHPGDCYP1A2

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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