SCHEMBL30622875

SCHEMBL30622875

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.50
▸ TACR3 P29371 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PRCP P42785 2/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 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
SCHEMBL26645190 1.00 GRM5 (0.50) GRM5TACR3ALDH1A1HPGDPRCP
SCHEMBL26645434 0.86 GRM5 (0.39) GRM5TACR3MAPTNPC1RAB9A
SCHEMBL26645493 0.85 GRM5 (0.40) GRM5TACR3LMNANPC1RAB9A
SCHEMBL30622756 0.85 GRM5 (0.45) GRM5TACR3ALDH1A1HPGDKDM4E
SCHEMBL26645151 0.75 GRM5 (0.50) GRM5TACR3MAPTF2RL1
SCHEMBL26645526 0.75 GRM5 (0.50) GRM5TACR3MAPTF2RL1
SCHEMBL30623037 0.74 NR1H2 (0.43) GRM5MAPTHDAC4HDAC6
SCHEMBL25433103 0.74 GRM5 (0.41) GRM5ALDH1A1MAPTGAAKDM4E
SCHEMBL26645168 0.74 GRM5 (0.41) GRM5ALDH1A1MAPTGAAKDM4E
SCHEMBL26645086 0.72 CSNK1E (0.39) GRM5TACR3ALDH1A1CYP1A2CYP3A4

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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