SCHEMBL17203299

SCHEMBL17203299

O=C(CCCc1ccc(I)s1)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 14/20 1.00
▸ PYGL P06737 1/20 0.48
▸ TSHR P16473 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL17203188 0.85 TRPV1 (0.73) TRPV1PYGLTSHRALDH1A1HPGD
SCHEMBL17205589 0.82 TRPV1 (1.00) TRPV1
SCHEMBL17205667 0.80 TRPV1 (0.67) TRPV1PYGLHPGD
SCHEMBL17205697 0.79 TRPV1 (1.00) TRPV1TSHRALDH1A1HPGD
SCHEMBL17203312 0.77 TRPV1 (0.66) TRPV1ALDH1A1
SCHEMBL11875261 0.76 TRPV1 (0.70) TRPV1PYGLTSHRP2RX7ALDH1A1
SCHEMBL29594946 0.75 TRPV1 (0.72) TRPV1PYGLTSHRALDH1A1HPGD
SCHEMBL17205964 0.74 TRPV1 (1.00) TRPV1ALDH1A1HPGD
SCHEMBL11305715 0.73 TSHR (0.69) TRPV1PYGLTSHRP2RX7ALDH1A1
SCHEMBL6078847 0.71 TRPV1 (0.84) TRPV1PYGLTSHRALDH1A1

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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