SCHEMBL30554479

SCHEMBL30554479

C[C@H]1CN(C(C(N)=O)c2ccc(F)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.38
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ HTRA1 Q92743 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAPK14 Q16539 2/20 0.34
▸ SETD7 Q8WTS6 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ RORC P51449 1/20 0.33

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
SCHEMBL23126416 1.00 TACR1 (0.38) TACR1HDAC1HDAC2GPR119MEN1
SCHEMBL21831298 0.90 TACR1 (0.39) TACR1HDAC1HDAC2GPR119MEN1
SCHEMBL29922666 0.89 TACR1 (0.36) TACR1HDAC1HDAC2GPR119MEN1
SCHEMBL29923023 0.89 TACR1 (0.36) TACR1HDAC1HDAC2GPR119MEN1
SCHEMBL30554486 0.88 TACR1 (0.37) TACR1HDAC1HDAC2GPR119MEN1
SCHEMBL21910374 0.88 TACR1 (0.37) TACR1HDAC1HDAC2GPR119MEN1
SCHEMBL25138125 0.88 TACR1 (0.40) TACR1HDAC1HDAC2GPR119MEN1
SCHEMBL29922480 0.86 MAPK14 (0.44) TACR1HDAC1HDAC2GPR119MEN1
SCHEMBL29922715 0.86 MAPK14 (0.44) TACR1HDAC1HDAC2GPR119MEN1
SCHEMBL30554491 0.86 MAPK14 (0.44) TACR1HDAC1HDAC2GPR119MEN1

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-3814348-B9 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-11-01 — — EP disclosed
EP-3814348-B1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 — — EP disclosed
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