SCHEMBL30622819

SCHEMBL30622819

C[C@@H]1c2cc(-c3ccc(F)c(I)c3)nn2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ GRM5 P41594 2/20 0.36
▸ USP30 Q70CQ3 2/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ GPR119 Q8TDV5 7/20 0.34
▸ SETD7 Q8WTS6 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP3A5 P20815 1/20 0.33
▸ NTRK1 P04629 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL30622756 0.88 GRM5 (0.45) NR1H2NR1H3GRM5NTRK1KDM4E
SCHEMBL26645493 0.86 GRM5 (0.40) GRM5
SCHEMBL30623037 0.84 NR1H2 (0.43) NR1H2NR1H3GRM5GPR119
SCHEMBL24276770 0.82 GRM5 (0.36) NR1H2NR1H3GRM5USP30UCHL1
SCHEMBL31692464 0.77 LMNA (0.36) NR1H2NR1H3GRM5USP30UCHL1
SCHEMBL22279667 0.75 MAP4K4 (0.39) NR1H2NR1H3GRM5UCHL1MEN1
SCHEMBL26026951 0.75 GRM5 (0.36) NR1H2NR1H3GRM5USP30UCHL1
SCHEMBL31362319 0.73 GRM5 (0.35) NR1H2NR1H3GRM5KDM4EMEN1
SCHEMBL30622875 0.72 GRM5 (0.50) GRM5CYP3A4KDM4EMEN1ALDH1A1
SCHEMBL26645190 0.72 GRM5 (0.50) GRM5CYP3A4KDM4EMEN1ALDH1A1

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-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 — — EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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