SCHEMBL29237289

SCHEMBL29237289

CNc1cc(Oc2c(F)cc3[nH]ccc3c2F)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.37
▸ DRD1 P21728 3/20 0.35
▸ RHEB Q15382 5/20 0.35
▸ GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL31065974 0.81 RHEB (0.38) TRPA1DRD1RHEBGPR84
SCHEMBL30217128 0.81 TRPA1 (0.34) TRPA1DRD1RHEB
SCHEMBL31176898 0.80 TRPA1 (0.39) TRPA1DRD1RHEBGPR84
SCHEMBL31066001 0.80 RHEB (0.43) TRPA1DRD1RHEBGPR84
SCHEMBL31065957 0.80 DRD1 (0.35) TRPA1DRD1RHEBGPR84
SCHEMBL31108631 0.78 NR4A2 (0.39) TRPA1DRD1
SCHEMBL29237632 0.77 TRPA1 (0.37) TRPA1DRD1RHEBGPR84
SCHEMBL30285598 0.77 TRPA1 (0.37) TRPA1DRD1RHEBGPR84
SCHEMBL27382323 0.77 DRD1 (0.40) TRPA1DRD1RHEB
SCHEMBL31065875 0.76 PRKAB2 (0.41) TRPA1DRD1RHEB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
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