Sugi Predict

Sugi Predict / Compounds / 3-Methylpyridine

3-Methylpyridine

3-Methylpyridine

SCHEMBL8328209

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(C)nc2OCCOC=O)c1.Cc1cccnc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 12/20 0.58
▸ EDNRB P24530 10/20 0.58

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
SCHEMBL8327410 0.91 EDNRA (0.57) EDNRAEDNRB
SCHEMBL8322387 0.90 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7305595 0.83 EDNRA (0.74) EDNRAEDNRB
SCHEMBL8326324 0.82 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8397140 0.82 EDNRA (0.62) EDNRAEDNRB
SCHEMBL9156436 0.81 EDNRA (0.59) EDNRAEDNRB
3-Methylpyridine SCHEMBL8326023 0.78 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7293947 0.77 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8325896 0.77 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7295822 0.77 EDNRA (0.78) EDNRAEDNRB

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
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 — — EP claimed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 — — US disclosed