SCHEMBL30044843

SCHEMBL30044843

O=C(NC1CCCC(O)C1)c1ccccn1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.84
▸ SMYD3 Q9H7B4 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ ERBB2 P04626 1/20 0.51
▸ MET P08581 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ MERTK Q12866 1/20 0.51
▸ TRPV1 Q8NER1 2/20 0.49
▸ CRBN Q96SW2 1/20 0.48

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
SCHEMBL30044697 0.92 GRM5 (0.74) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL16394406 0.88 GRM5 (0.88) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL31116604 0.87 GRM5 (0.70) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL2246381 0.85 GRM5 (0.82) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL25394287 0.85 GRM5 (0.82) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL26923861 0.85 GRM5 (0.82) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL26250579 0.85 GRM5 (0.82) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL25394283 0.85 GRM5 (0.82) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL2590689 0.84 GRM5 (0.80) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL22449377 0.84 GRM5 (0.80) GRM5SMYD3KDM4EGAAKMT2A

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-3743406-B9 TMEM16A MODULATORS TMEM16A LTD (GB) 2023-03-08 — — EP claimed
EP-3743406-B1 TMEM16A MODULATORS TMEM16A LTD (GB) 2022-12-28 — — EP claimed
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