SCHEMBL30622756

SCHEMBL30622756

C[C@@H]1c2cc(-c3ccc(F)cc3)nn2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.45
▸ F2RL1 P55085 2/20 0.40
▸ HDAC2 Q92769 4/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ TACR3 P29371 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GRM1 Q13255 1/20 0.36
▸ NTRK1 P04629 2/20 0.36

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
SCHEMBL30623037 0.89 NR1H2 (0.43) GRM5NR1H2NR1H3MMP13
SCHEMBL30622819 0.88 NR1H2 (0.37) GRM5NR1H2NR1H3HTTKDM4E
SCHEMBL24276770 0.86 GRM5 (0.36) GRM5NR1H2NR1H3ALDH1A1
SCHEMBL30622875 0.85 GRM5 (0.50) GRM5F2RL1HDAC2HDAC1TACR3
SCHEMBL26645190 0.85 GRM5 (0.50) GRM5F2RL1HDAC2HDAC1TACR3
SCHEMBL31692464 0.80 LMNA (0.36) GRM5NR1H2NR1H3KDM4EMEN1
SCHEMBL22279667 0.78 MAP4K4 (0.39) GRM5HDAC1NR1H2NR1H3MEN1
SCHEMBL26026951 0.78 GRM5 (0.36) GRM5NR1H2NR1H3KDM4EMEN1
SCHEMBL30622961 0.77 GRM5 (0.46) GRM5F2RL1HDAC2HDAC1HTT
SCHEMBL30622799 0.77 GRM5 (0.46) GRM5F2RL1HDAC2HDAC1HTT

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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