SCHEMBL30285598

SCHEMBL30285598

NCc1cc(Oc2c(F)cc3[nH]ccc3c2F)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.37
▸ RHEB Q15382 5/20 0.35
▸ DRD1 P21728 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ MPO P05164 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ GPR84 Q9NQS5 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FDFT1 P37268 1/20 0.30

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
SCHEMBL29237632 1.00 TRPA1 (0.37) TRPA1RHEBDRD1HTR2BTRPM8
SCHEMBL29336972 0.84 TRPA1 (0.34) TRPA1RHEBDRD1HTR2BHTR2A
SCHEMBL30285487 0.84 TRPA1 (0.34) TRPA1RHEBDRD1HTR2BHTR2A
SCHEMBL31176898 0.83 TRPA1 (0.39) TRPA1RHEBDRD1GPR84
SCHEMBL31065974 0.81 RHEB (0.38) TRPA1RHEBDRD1GPR84
SCHEMBL31066001 0.80 RHEB (0.43) TRPA1RHEBDRD1GPR84MEN1
SCHEMBL27382327 0.78 TRPA1 (0.36) TRPA1RHEBDRD1
SCHEMBL31065957 0.77 DRD1 (0.35) TRPA1RHEBDRD1GPR84
SCHEMBL29237289 0.77 TRPA1 (0.37) TRPA1RHEBDRD1GPR84
SCHEMBL27382323 0.77 DRD1 (0.40) TRPA1RHEBDRD1

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
EP-4396176-A1 INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS GENZYME CORPORATION (US) 2024-07-10 — — EP disclosed
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
WO-2023034946-A1 INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS GENZYME CORPORATION (US) 2023-03-09 — — WO disclosed
Send feedback