SCHEMBL30201396

SCHEMBL30201396

O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc2ccn(-c3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
OPRK1 P41145 1/20 0.53
DRD4 P21917 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
SCHEMBL30201281 0.92 MEN1 (0.61) MEN1KMT2AOPRK1
SCHEMBL30201299 0.91 MEN1 (0.64) MEN1KMT2AOPRK1
SCHEMBL30201565 0.90 MEN1 (0.56) MEN1KMT2AOPRK1
SCHEMBL30201422 0.78 DRD4 (0.53) MEN1KMT2AOPRK1DRD4
SCHEMBL30201262 0.77 MEN1 (0.61) MEN1KMT2AOPRK1
SCHEMBL6823539 0.75 OPRK1 (0.73) MEN1KMT2AOPRK1
SCHEMBL6823638 0.74 MEN1 (0.71) MEN1KMT2AOPRK1
SCHEMBL30201364 0.74 MEN1 (0.64) MEN1KMT2AOPRK1
SCHEMBL29280306 0.73 SRD5A2 (0.49)
SCHEMBL24950981 0.73 MEN1 (0.63) MEN1KMT2AOPRK1

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