SCHEMBL29021233

SCHEMBL29021233

Fc1cc(N2CC[CH]CC2)cc(F)c1-c1ccc(OCc2ccccc2)nc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.38
▸ GRM5 P41594 3/20 0.37
▸ GRM3 Q14832 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL29021196 0.92 ALDH1A1 (0.41) HRH4GRM5GRM3ALDH1A1SMN1; SMN2
SCHEMBL26171964 0.84 GRM5 (0.36) HRH4GRM5GRM3
SCHEMBL29134195 0.84 GRM5 (0.36) HRH4GRM5GRM3ALDH1A1SMN1; SMN2
SCHEMBL26172049 0.84 GRM5 (0.38) GRM5ALDH1A1SMN1; SMN2CYP11B2L3MBTL1
SCHEMBL24207014 0.83 CHRM4 (0.38) —
SCHEMBL27326706 0.83 CHRM4 (0.44) HTR1ASMN1; SMN2
SCHEMBL30694252 0.83 GRM5 (0.38) HRH4GRM5
SCHEMBL30511792 0.83 MYC (0.38) GRM5
SCHEMBL24207600 0.83 FFAR4 (0.45) —
SCHEMBL27224957 0.83 HRH4 (0.34) HRH4GRM5

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
CN-116847848-A EGFR degrading agents and methods of use 百济神州有限公司 2023-10-03 — — CN disclosed
CN-116323580-A Conjugated degradation (EGFR) of EGFR inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2023-06-23 — — CN disclosed
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