SCHEMBL31058683

SCHEMBL31058683

COc1cc2ccc(-c3nc(C)c(C)cc3-c3cnn(CC(C)(C)OC)c3)cc2nn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.52
▸ TTK P33981 12/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ KIT P10721 1/20 0.30
▸ FFAR1 O14842 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
SCHEMBL23779303 1.00 CHRM4 (0.52) CHRM4TTKKDM4EKITFFAR1
SCHEMBL23779255 0.91 CHRM4 (0.51) CHRM4TTKKDM4E
SCHEMBL31058698 0.91 CHRM4 (0.51) CHRM4TTKKDM4E
SCHEMBL23779341 0.91 CHRM4 (0.51) CHRM4KDM4E
SCHEMBL31058699 0.91 CHRM4 (0.51) CHRM4KDM4E
SCHEMBL23779399 0.89 CHRM4 (0.49) CHRM4TTK
SCHEMBL31058695 0.89 CHRM4 (0.49) CHRM4TTK
SCHEMBL31058677 0.82 CHRM4 (0.49) CHRM4KDM4E
SCHEMBL23779264 0.82 CHRM4 (0.49) CHRM4KDM4E
SCHEMBL20602323 0.81 CHRM4 (0.65) CHRM4TTKKDM4E

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
EP-3873467-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-08-28 — — EP claimed
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