SCHEMBL30201418

SCHEMBL30201418

Cn1ccnc1CN1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc3cc[nH]c3c1)C2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.50
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
CHRNA7 P36544 1/20 0.46

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
SCHEMBL30201472 0.83 MEN1 (0.52) SMYD3
SCHEMBL30201432 0.82 DRD4 (0.55) SMYD3
SCHEMBL30201410 0.82 SMYD3 (0.48) SMYD3CHRNA7
SCHEMBL30201445 0.81 SMYD3 (0.48) SMYD3
SCHEMBL30201438 0.81 SMYD3 (0.48) SMYD3
SCHEMBL30201400 0.81 SMYD3 (0.48) SMYD3
SCHEMBL5956281 0.81 MEN1 (0.60) SMYD3MAPK11MAPK14CHRNA7
SCHEMBL30201364 0.81 MEN1 (0.64)
SCHEMBL30201517 0.80 SMYD3 (0.52) SMYD3
SCHEMBL30201412 0.80 CXCR6 (0.55) SMYD3

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
WO-2023009330-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC (US) 2023-02-02 WO disclosed