SCHEMBL30201472

SCHEMBL30201472

O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1ccncc1)c1ccc2cc[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMYD3 Q9H7B4 1/20 0.51

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
SCHEMBL30201364 0.90 MEN1 (0.64) MEN1KMT2A
SCHEMBL30201412 0.89 CXCR6 (0.55) MEN1KMT2ASMYD3
SCHEMBL30201509 0.89 DRD4 (0.55) MEN1KMT2A
SCHEMBL30201378 0.88 OPRK1 (0.61) MEN1KMT2A
SCHEMBL30201422 0.87 DRD4 (0.53) MEN1KMT2A
SCHEMBL30201517 0.87 SMYD3 (0.52) SMYD3
SCHEMBL30201438 0.85 SMYD3 (0.48) SMYD3
SCHEMBL30201445 0.85 SMYD3 (0.48) SMYD3
SCHEMBL30201432 0.83 DRD4 (0.55) SMYD3
SCHEMBL30201410 0.83 SMYD3 (0.48) 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