SCHEMBL30201756

SCHEMBL30201756

O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc2cn[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.61
ROCK1 Q13464 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ARHGDIA P52565 1/20 0.59
OPRK1 P41145 1/20 0.57

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
SCHEMBL5413391 0.92 ROCK2 (0.72) ROCK2ROCK1MEN1KMT2AARHGDIA
SCHEMBL30201364 0.85 MEN1 (0.64) MEN1KMT2AOPRK1
SCHEMBL24950703 0.82 OPRK1 (0.62) MEN1KMT2AOPRK1
SCHEMBL30201654 0.82 OPRK1 (0.62) MEN1KMT2AOPRK1
SCHEMBL30201262 0.80 MEN1 (0.61) MEN1KMT2AOPRK1
SCHEMBL6823638 0.79 MEN1 (0.71) MEN1KMT2AOPRK1
SCHEMBL30201509 0.78 DRD4 (0.55) MEN1KMT2A
SCHEMBL24950981 0.78 MEN1 (0.63) MEN1KMT2AOPRK1
SCHEMBL30201342 0.78 MEN1 (0.63) MEN1KMT2AOPRK1
SCHEMBL6823539 0.78 OPRK1 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4376818-B1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC (US) 2025-06-18 EP claimed
WO-2023009330-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC (US) 2023-02-02 WO disclosed